Molecule Details

O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C(=O)CCl)CC1

Molecular Properties
SMILES:
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C(=O)CCl)CC1
MW: 441.15
Fraction sp3: 0.6
HBA: 4
HBD: 1
Rotatable Bonds: 6
TPSA: 86.79
cLogP: 1.95
Covalent Warhead: ✔️
Covalent Fragment: ✔️

Hetero_hetero

O=C(NC1CCN(C(=O)CCl)CC1)c1ccccc1

AAR-POS-0daf6b7e-5

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O=C(Nc1ccccc1O)C1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-6

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O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-9
0.675

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O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-7
0.553

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O=C(NCc1ccccc1S(=O)(=O)N1CCCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-8
0.512

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O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1cccnc1

MAK-UNK-009ebe36-7
0.500

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CC(C)(C)OC(=O)Cc1cccc(CNC(=O)C2CCN(C(=O)CCl)CC2)c1

SAD-SAT-29425be4-9
0.494

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O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-6
0.436

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O=C(CCl)Nc1cccc(S(=O)(=O)N2CCCCC2)c1

AHN-SAT-de2502ba-5
0.434

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O=C(OCc1ccccc1)c1ccc(CNC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-29
0.430

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O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-3
0.426

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O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-5
0.421

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CC(C)c1ccc(CCCNC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-15
0.420

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CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-6
0.416

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COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1Cl

MAR-TRE-fd17a9b8-92
0.414

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O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1

MAR-TRE-6a44bbf2-18
0.412

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O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1

AAR-POS-d2a4d1df-23
0.412

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O=C(CCl)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1

BEN-DND-76ad4ac9-6
0.412

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O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1

LON-WEI-8f408cad-4
0.412

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O=C(CCl)N1CCCN(S(=O)(=O)c2cccc(F)c2)CC1

BEN-DND-76ad4ac9-14
0.412

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Cc1cccc(C(C)(C)CNC(=O)C2CCN(C(=O)CCl)CC2)c1

SAD-SAT-29425be4-20
0.404

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CC(C)(C)c1ccc(CNC(=O)C2CCN(C(=O)CCl)CC2)s1

SAD-SAT-29425be4-14
0.402

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O=C(CCl)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21

AHN-SAT-de2502ba-11
0.398

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O=C(CCl)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1

MAK-UNK-7c9d1431-4
0.395

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O=C(CCl)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1

TAT-ENA-80bfd3e5-25
0.395

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O=C(CCl)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

IND-SYN-6c8299e8-2
0.395

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O=C(CCl)Nc1cccc(S(=O)(=O)N2CCCC2)c1

AHN-SAT-de2502ba-6
0.393

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O=C(CCl)Nc1cccc(S(=O)(=O)N2CCCC2)c1

MAR-TRE-6a44bbf2-43
0.393

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CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

MAR-TRE-6a44bbf2-65
0.388

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O=C(CCl)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl

AHN-SAT-de2502ba-18
0.388

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CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

TAT-ENA-80bfd3e5-43
0.388

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CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

MAK-UNK-7c9d1431-11
0.388

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O=C(CCl)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1

SAD-SAT-9a6c5cf3-6
0.381

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Cc1ccc(S(=O)(=O)N2CCCN(C(=O)C3CCN(C(=O)CCl)CC3)CC2)cc1

SAD-SAT-9a6c5cf3-2
0.379

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O=C(Nc1ccccc1)C1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-86
0.378

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O=C(Nc1ccccc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-15
0.378

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O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-2
0.376

View
O=C(CCl)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)CC1

SAD-SAT-9a6c5cf3-9
0.375

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O=C(CCl)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl

AHN-SAT-de2502ba-17
0.372

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CC(=O)c1cccc(NC(=O)C2CCN(C(=O)CCl)CC2)c1

LON-WEI-120e5cf5-19
0.371

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Cc1cccnc1NC(=O)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-21
0.371

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O=C(N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-10
0.370

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O=C(CCl)N1CCC(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1

SAD-SAT-f2e2579e-2
0.369

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Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCl

AHN-SAT-de2502ba-10
0.368

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NS(=O)(=O)c1ccc2cccc(NC(=O)C3CCN(C(=O)CCl)CC3)c2c1

MAK-UNK-69bf97dd-4
0.367

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O=C(CCl)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1

SAD-SAT-f2e2579e-7
0.366

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Cc1ccc(SCCNC(=O)C2CCN(C(=O)CCl)CC2)cc1C

SAD-SAT-29425be4-3
0.366

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CNC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-750cfbcc-2
0.365

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O=C(Nc1ccccc1O)C1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-15
0.365

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O=C(CCl)N1CCC(S(=O)(=O)c2cccc(F)c2)CC1

BEN-DND-76ad4ac9-7
0.365

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-6
0.365

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N#Cc1cccc(CC2CCN(C(=O)CCl)CC2)c1

MAK-UNK-10dfa458-40
0.364

View
O=C(CCl)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1

SAD-SAT-9a6c5cf3-10
0.362

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O=C(Nc1cc(Cl)nc2ccccc12)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-14
0.362

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1

MAK-UNK-7c9d1431-5
0.360

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1

MAR-TRE-6a44bbf2-31
0.360

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O=C(CCl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1O

MAC-MCD-4707377b-1
0.360

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NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(C(=O)CCl)CC3)CC2)cc1

SAD-SAT-f2e2579e-5
0.359

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Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-10
0.358

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O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-20
0.357

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O=C1CN(S(=O)(=O)c2cccc(CNC(=O)c3cncnc3)c2)CCN1

MAR-TRE-799db12b-9
0.356

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CC(C)(CNC(=O)C1CCN(C(=O)CCl)CC1)c1coc(-c2ccccc2)n1

SAD-SAT-29425be4-4
0.356

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O=C(Nc1ccccc1Br)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-16
0.356

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Cc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)nc1

MAK-UNK-c97f7c8f-1
0.356

View
CN(C)c1ccc(C(CNC(=O)C2CCN(C(=O)CCl)CC2)N(C)C)cc1

SAD-SAT-29425be4-19
0.355

View
O=C(c1cccc(F)c1)C1CCN(C(=O)CCl)CC1

BEN-DND-76ad4ac9-4
0.353

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1

MAK-UNK-7c9d1431-10
0.353

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1

MAR-TRE-6a44bbf2-32
0.353

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1

ABB-MCD-f8003a30-1
0.353

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O=C(CCl)N1CCC(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)CC1

SAD-SAT-9a6c5cf3-1
0.352

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O=C(Nc1cccnc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-11
0.352

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O=C(CCl)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21

MAR-TRE-6a44bbf2-22
0.352

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O=C(CCl)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21

MAK-UNK-7c9d1431-26
0.352

View
O=C(Nc1ccccc1N1CCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-2
0.352

View
O=C(CCl)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1

SAD-SAT-9a6c5cf3-5
0.351

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O=C(CCl)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl

AHN-SAT-de2502ba-19
0.349

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Cc1cccc(CC2CCN(C(=O)CCl)CC2)c1

MAK-UNK-af83ef51-6
0.349

View
CC(=O)c1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cc1

LON-WEI-120e5cf5-10
0.349

View
COc1cc(NC(=O)C2CCN(C(=O)CCl)CC2)cc(OC)c1OC

LON-WEI-120e5cf5-3
0.348

View
CCc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)nc1

MAK-UNK-c97f7c8f-2
0.348

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

MAK-UNK-7c9d1431-3
0.348

View
N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(C(=O)CCl)CC3)CC2)cc1

SAD-SAT-f2e2579e-10
0.347

View
O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-2
0.347

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2)CC1

MAR-TRE-6a44bbf2-21
0.346

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2)CC1

MAK-UNK-7c9d1431-9
0.346

View
O=C(CF)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1

DAN-MCD-50ec7d1f-1
0.345

View
Cc1ccnc(NC(=O)C2CCN(C(=O)CCl)CC2)c1

LON-WEI-120e5cf5-13
0.344

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1

MAK-UNK-7c9d1431-7
0.344

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1

MAR-TRE-6a44bbf2-49
0.344

View
O=C(CCl)N1CCC(C(=O)N2CCCN(S(=O)(=O)c3cccs3)CC2)CC1

SAD-SAT-f2e2579e-8
0.343

View
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(N(C(=O)C3CCN(C(=O)CCl)CC3)C(C)C)c2)c1

MAK-UNK-8fdbca50-24
0.342

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1C

MAK-UNK-7c9d1431-8
0.341

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1C

MAR-TRE-6a44bbf2-26
0.341

View
COc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1OC

MAK-UNK-7c9d1431-19
0.341

View
O=C(NC1CCCC(C2CCCCC2)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-1
0.341

View
O=C(Nc1ccn(-c2ccccc2)n1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-12
0.340

View
CC(C)Cc1ccc(C(NC(=O)C2CCN(C(=O)CCl)CC2)C(C)C)cc1

SAD-SAT-29425be4-13
0.340

View
CCCCc1ccc(C(NC(=O)C2CCN(C(=O)CCl)CC2)C(C)C)cc1

SAD-SAT-29425be4-12
0.340

View
O=C(CCl)N1CCC(C(=O)N2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1

SAD-SAT-f2e2579e-9
0.340

View
Cn1c(CNC(=O)C2CCN(C(=O)CCl)CC2)nc2c1C(n1os1)CCC2

YOI-UNK-12211982-1
0.340

View
O=C(NC(Cc1cccc(Oc2ccccc2)c1)C(=O)O)C1CCN(C(=O)CCl)CC1

YOI-UNK-15f562e8-1
0.340

View
Cn1c(CNC(=O)C2CCN(C(=O)CCl)CC2)nc2c1C(n1os1)CCC2

YOI-UNK-a533afbc-1
0.340

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C(=O)N2CCCC2)CC1

0.792

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CC1

0.780

View
CC(=O)N1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.778

View
NC(=O)N1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.778

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C(=O)COc2ccccc2)CC1

0.776

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C(=O)CCc2ccccc2)CC1

0.772

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCCC1

0.765

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCC1

0.765

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCCCC1

0.765

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCCCCC1

0.765

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCC1

0.765

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C(=O)NC2CC2)CC1

0.750

View
CN1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.741

View
CC(C)C(=O)N1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.737

View
CCC(=O)N1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)C1

0.737

View
CN(C)C(=O)N1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.737

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCC(O)CC1

0.736

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCC(F)CC1

0.736

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C2CC2)CC1

0.727

View
CS(=O)(=O)N1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.727

View
NS(=O)(=O)N1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.727

View
CCOC(=O)N1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.724

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C(=O)Nc2ccccc2)CC1

0.724

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1C2CCCC21

0.722

View
O=C(O)[C@H]1CC[C@H](C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.722

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCNCC1

0.722

View
O=C(O)C1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.722

View
CCN(CC)C(=O)N1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.712

View
CC(C)(C)OC(=O)N1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.712

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C(=O)OCc2ccccc2)CC1

0.712

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCOCC1

0.709

View
CC1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.709

View
C[C@H]1CC[C@H](C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.709

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCSCC1

0.709

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCC(NC(=O)C2CC2)CC1

0.709

View
N[C@H]1CC[C@@H](C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.709

View
NC1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.709

View
N[C@H]1CC[C@H](C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.709

View
CCNC(=O)C1CCN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.707

View
CCS(=O)(=O)N1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.702

View
CC(C)N1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.702

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(Cc2ccccc2)CC1

0.702

View
CC[C@H]1CC[C@H](C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.696

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CC=CCC1

0.696

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCS(=O)(=O)CC1

0.696

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCC2(CC1)CC2

0.696

View
COC(=O)[C@H]1CC[C@H](C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.696

View
COC(=O)C1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.696

View
CC(=O)N1CC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)C1

0.696

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CC=CCC1

0.696

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCC(F)C1

0.691

View
C#CCN1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.690

View
O=C(NC1CC1)C1CCN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.690

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C(=O)C=Cc2ccccc2)CC1

0.689

View
CC(C)COC(=O)N1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.689

View
O=C(NCCCO)C1CCN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.689

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CC=CC1

0.685

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1C[C@@H](O)C1

0.685

View
COC1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.684

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCC(NC(=O)C2CCCC2)CC1

0.684

View
CC1(C)CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.684

View
NC[C@H]1CC[C@H](C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.684

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCNCC1

0.684

View
CCCNC(=O)C1CCN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.683

View
C#CCNC(=O)C1CCN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.683

View
CC(C)CNC(=O)C1CCN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.683

View
O=C(CCl)NCc1cccc(S(=O)(=O)N2CCCCC2)c1

0.679

View
O=C(CNC(=O)C1CC1)NCc1cccc(S(=O)(=O)N2CCCCC2)c1

0.679

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1[C@H]2CNC[C@H]21

0.679

View
O=C(NCCNC(=O)C1CC1)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1

0.679

View
CC(C)CN1CCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.678

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(CC(F)(F)F)CC1

0.678

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(CC(F)F)CC1

0.678

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CC(F)C1

0.673

View
O=C1CC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)C1

0.673

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1C[C@@H]2C[C@@H]2C1

0.673

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CSC1

0.673

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCC(C(F)(F)F)CC1

0.672

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(CNC(=O)C2CCCC2)cc1

0.672

View
O=C1CC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CCN1

0.672

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCC(c2ccccc2)CC1

0.672

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCOCC1

0.672

View
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.672

View
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.672

View
O=C(O)C1CCN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)C1

0.672

View
O=C(NCC(F)(F)F)C1CCN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.672

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(c2ncccn2)CC1

0.667

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCN(C(=O)c2cccnc2)CC1

0.667

View
CCC(=O)N1CCCC(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)C1

0.667

View
O=C(CCC(=O)N1CCC(O)CC1)NCc1cccc(S(=O)(=O)N2CCCCC2)c1

0.667

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCCC(F)C1

0.667

View
O=C(NCCNC(=O)C1CC1)NCc1cccc(S(=O)(=O)N2CCCCC2)c1

0.667

View
O=C(CNC(=O)C1CCCCC1)NCc1cccc(S(=O)(=O)N2CCCCC2)c1

0.667

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCC(O)CC1

0.667

View
O=C(Nc1ccccc1)C1CCN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.667

View
O=C(NC1CCCCC1)C1CCN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.667

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCNC1

0.667

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CC[C@@H](C(=O)O)C1

0.667

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCNC1

0.667

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCNC1

0.667

View
O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

0.200

View
CC1CC(C)CN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1

0.200

View
CC1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1

0.200

View
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1

0.200

View
Cc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3C)CC2)cc1C

0.200

View
NC(=O)C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1

0.199

View
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1C

0.198

View
CC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.198

View
CN1CCC(CCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.198

View
Cc1cccc(S(=O)(=O)N2CCC3(CCC(=O)N(Cc4ccccc4)CC3)CC2)c1

0.198

View
Cc1ccc(CN2C(=O)C3CCCCC3C2=O)cc1S(=O)(=O)NCCC(C)C

0.196

View
CN(CC1CCCC1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1

0.195

View
CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1

0.195

View
CC(C)C1(C)CC(=O)N(Cc2cccc(S(=O)(=O)N(C)C)c2)C1=O

0.194

View
Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1

0.194

View
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCN(Cc4ccccc4)C3)CC2)cc1C

0.193

View
CCN(CC)S(=O)(=O)c1cc(CN2C(=O)C3CCCCC3C2=O)ccc1C

0.192

View
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1C

0.191

View
Cc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3)CC2)cc1C

0.191

View
CCN1CCC(CNC(=O)c2cccc(S(=O)(=O)N3CC(C)CC(C)C3)c2)CC1

0.190

View
Cc1cccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3C)CC2)c1

0.190

View
O=C(NCc1ccccc1)C1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1

0.189

View
Cc1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1S(=O)(=O)N1CCCCC1

0.186

View
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)CC2)cc1

0.185

View
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCC(C(N)=O)CC2)c1

0.181

View
CC(C)(C(=O)O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1

0.181

View
Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1

0.180

View
CC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1

0.179

View
Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1

0.178

View
Cc1ccc(C)c(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)c1

0.178

View
Cc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1

0.178

View
CCC1CCCCN1S(=O)(=O)c1cc(CN2C(=O)C3CCCCC3C2=O)ccc1C

0.176

View
Cc1ccc(CN2C(=O)C3CCCCC3C2=O)cc1S(=O)(=O)N1CCCCC1C

0.176

View
CCCN(CCC)S(=O)(=O)c1cc(CN2C(=O)C3CCCCC3C2=O)ccc1C

0.173

View
Cc1cc(C)cc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3)CC2)c1

0.173

View
Cc1ccc(CN2C(=O)C3CCCCC3C2=O)cc1S(=O)(=O)N(C)C1CCCCC1

0.172

View
Cc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)cc1C

0.170

View
Cc1cccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3)CC2)c1

0.169

View
O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC(C(=O)N2CCCCCC2)CC1

0.166

View
CC1(C(=O)NCc2ccccc2)CCN(S(=O)(=O)c2cccc(C#N)c2)CC1

0.165

View
CCC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1

0.165

View
NC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1

0.164

View
Cc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3cc(C)cc(C)c3)CC2)cc1

0.159

View
NC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1

0.155

View
CC1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)CC1

0.155

View
Cc1ccc(CNC(=O)C2(C)CCN(S(=O)(=O)c3cccc(C)c3)CC2)cc1

0.155

View
Cc1cc(C)cc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)c1

0.150

View
Cc1ccc(CN2C(=O)C3CCCCC3C2=O)cc1S(=O)(=O)N1CCCCCC1

0.150

View
Cc1ccc(CN2C(=O)C3CCCCC3C2=O)cc1S(=O)(=O)N1CCC(C)CC1

0.150

View
CCCC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1

0.150

View
O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCC(C(=O)N2CCCCCC2)CC1

0.149

View
O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCC(C(=O)N2CCCCCC2)CC1

0.149

View
NC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1

0.147

View
Cc1ccc(CN2C(=O)C3CCCCC3C2=O)cc1S(=O)(=O)N1CCCCC1

0.147

View
Cc1cccc(S(=O)(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)c1

0.146

View
CC(C)NS(=O)(=O)c1cccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1

0.144

View
CC(C)CC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1

0.135

View
CC(C)(C)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1

0.135

View
CC(C)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1

0.135

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CCC1

0.123

View
CC1CC1C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1

0.113

View
O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CC1

0.105

View
C(N1CCC(C(N(C)C)=O)CC1)(=O)C1=CC=CC(S(N2CCCCC2)(=O)=O)=C1

0.881

View
C(N1CCC(C(N(C)C)=O)CC1)(=O)C1=CC=CC(S(N2CCCC2)(=O)=O)=C1

0.873

View
C(N(CCCC)CC1=CC=CC=C1)(=O)C1CCN(S(C2=CC=CC=C2)(=O)=O)CC1

0.869

View
C(N(CC)CC1=CC=CC=C1)(=O)C1CCN(S(C2=CC=CC=C2)(=O)=O)CC1

0.865

View
C(N1CCC(C(=O)N2CCCC2)CC1)(=O)C1=CC=CC(S(N2CCCCC2)(=O)=O)=C1

0.864

View


Discussion: