Molecule Details

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

Molecular Properties
SMILES:
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)C1CCN(C(=O)CCl)CC1
MW: 445.11
Fraction sp3: 0.56
HBA: 6
HBD: 2
Rotatable Bonds: 5
TPSA: 116.25
cLogP: 0.83
Covalent Warhead: ✔️
Covalent Fragment: ✔️

catechol

Dye 22

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

MAR-TRE-6a44bbf2-15
0.500

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

AAR-POS-0daf6b7e-6
0.500

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O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cncnc1

MAR-TRE-a9136c7b-65
0.488

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

MAK-UNK-69bf97dd-4
0.484

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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
0.474

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

MAK-UNK-69bf97dd-3
0.467

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O=C(CCl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl

AHN-SAT-de2502ba-16
0.463

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

MAK-UNK-69bf97dd-6
0.462

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O=C(Nc1ccccc1C1COC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-3
0.459

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Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCl

AHN-SAT-de2502ba-9
0.440

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

LON-WEI-120e5cf5-16
0.434

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

MAK-UNK-69bf97dd-1
0.421

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CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1

JAG-UCB-ef2c0e8e-6
0.419

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

MAK-UNK-69bf97dd-2
0.414

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

MAK-UNK-69bf97dd-9
0.413

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

MAK-UNK-3d7e3904-2
0.409

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

LON-WEI-120e5cf5-15
0.407

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

MAR-TRE-6a44bbf2-86
0.407

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O=C(Nc1c[nH]c2ccc(Br)cc12)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-18
0.404

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

LON-WEI-120e5cf5-20
0.402

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

LON-WEI-120e5cf5-13
0.402

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

LON-WEI-120e5cf5-14
0.402

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Cc1n[nH]c(-c2ccc(C)c(NC(=O)C3CCN(C(=O)CCl)CC3)c2)n1

LON-WEI-120e5cf5-7
0.402

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

MAK-UNK-c97f7c8f-1
0.400

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O=C(Nc1ccccc1OC1CS(=O)(=O)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-7
0.398

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

SAD-SAT-29425be4-6
0.396

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

LON-WEI-120e5cf5-10
0.393

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

SAD-SAT-9a6c5cf3-6
0.392

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

MAK-UNK-c97f7c8f-2
0.391

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O=C(CCl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1

AHN-SAT-de2502ba-4
0.391

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O=C(CCl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1

MAR-TRE-6a44bbf2-100
0.391

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

SAD-SAT-f2e2579e-7
0.390

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O=C(Nc1ccccc1Oc1ccccn1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-8
0.385

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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
0.385

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

LON-WEI-120e5cf5-21
0.382

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

LON-WEI-120e5cf5-19
0.382

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

LON-WEI-120e5cf5-12
0.380

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

LON-WEI-120e5cf5-11
0.379

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O=C(Nc1ccccc1OCC1(c2ccccn2)CCCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-9
0.379

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

SAD-SAT-f2e2579e-2
0.379

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COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

AAR-POS-f650c5f2-4
0.378

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COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

AAR-POS-5507155c-2
0.378

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COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

LON-WEI-120e5cf5-1
0.378

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COc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)cn1

LON-WEI-120e5cf5-17
0.378

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

SAD-SAT-9a6c5cf3-5
0.376

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

LON-WEI-120e5cf5-3
0.375

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O=C(Nc1ccccc1OC1CCN(Cc2ccccc2)CC1)C1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-17
0.373

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

SAD-SAT-f2e2579e-10
0.372

View
O=C(Nc1ccccc1OCC1CN(Cc2ccccc2)CCO1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-2
0.367

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

MAR-TRE-6a44bbf2-32
0.365

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

ABB-MCD-f8003a30-1
0.365

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

MAK-UNK-69bf97dd-8
0.365

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

MAK-UNK-750cfbcc-2
0.360

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

MAK-UNK-7c9d1431-4
0.360

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

TAT-ENA-80bfd3e5-25
0.360

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CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cncnc1

MAR-TRE-4f781e27-67
0.358

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Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cncnc1

MAR-TRE-8190bb11-100
0.358

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O=C(Nc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1O

KEI-TRE-d5e2018a-61
0.357

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

MAK-UNK-69bf97dd-7
0.357

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

SAD-SAT-9a6c5cf3-9
0.357

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

MAK-UNK-7c9d1431-5
0.356

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

MAK-UNK-7c9d1431-7
0.356

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

MAR-TRE-6a44bbf2-31
0.356

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

MAR-TRE-6a44bbf2-49
0.356

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O=C(Nc1ccc(N2CCNC2=O)cc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-4
0.355

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

MAK-UNK-7c9d1431-8
0.353

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

MAR-TRE-6a44bbf2-26
0.353

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O=C(Nc1cccc(C2=NN=C3CCCCC32)c1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-6
0.352

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

MAK-UNK-7c9d1431-19
0.352

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O=C(Nc1ccccc1OC1CCN(Cc2ccsc2)CC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-1
0.352

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

SAD-SAT-29425be4-14
0.352

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1

MAR-TRE-6a44bbf2-38
0.352

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1

MAK-UNK-7c9d1431-1
0.352

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

MAK-UNK-7c9d1431-10
0.349

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

SAD-SAT-9a6c5cf3-2
0.347

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

AHN-SAT-de2502ba-19
0.345

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

MAK-UNK-7c9d1431-3
0.344

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1

MAK-UNK-7c9d1431-2
0.344

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1

MAR-TRE-6a44bbf2-36
0.344

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

LON-WEI-120e5cf5-2
0.343

View
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)CCl)CC2)CC1

SAD-SAT-9a6c5cf3-7
0.343

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

BEN-DND-76ad4ac9-6
0.341

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

LON-WEI-8f408cad-4
0.341

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

MAR-TRE-6a44bbf2-18
0.341

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

AAR-POS-d2a4d1df-23
0.341

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

MAK-UNK-69bf97dd-10
0.340

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1

MAK-UNK-7c9d1431-6
0.337

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(C3CC3)cc2)CC1

MAK-UNK-c74072e5-8
0.337

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

AHN-SAT-de2502ba-17
0.337

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

MAK-UNK-7c9d1431-11
0.337

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

TAT-ENA-80bfd3e5-43
0.337

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

MAR-TRE-6a44bbf2-65
0.337

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

AHN-SAT-de2502ba-18
0.337

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

SAD-SAT-29425be4-13
0.337

View
CC(C)COc1ccc(C(C)NC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-28
0.337

View
O=C(Nc1ccc2c(c1)[nH]c1ccccc12)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-9
0.337

View
Cc1cc(C(=O)CCl)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1

TAT-ENA-80bfd3e5-27
0.333

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1CCCO1)c1cncnc1

MAR-TRE-a9136c7b-38
0.333

View
O=C(NCc1cccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1

MAR-TRE-fd17a9b8-62
0.330

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

SAD-SAT-9a6c5cf3-10
0.330

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCOCC1

0.696

View
O=C(CCl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O

0.691

View
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C1CCOCC1

0.684

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCCOCC1

0.661

View
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C1CCCOCC1

0.650

View
CC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1

0.639

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCN(C(=O)N2CCCC2)CC1

0.638

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CC1

0.636

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CC1

0.632

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCN(C(=O)COc2ccccc2)CC1

0.631

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCN(C(=O)N2CCCC2)CC1

0.629

View
NC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1

0.627

View
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C1CCN(C(=O)N2CCCC2)CC1

0.627

View
CC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1

0.627

View
CC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)CC1

0.625

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCC1

0.625

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCCC1

0.625

View
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C1CC1

0.625

View
CC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1

0.623

View
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(=O)N2CCCC2)CC1

0.623

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCOCC1

0.621

View
NC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2O)CC1

0.617

View
CC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2O)CC1

0.617

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCOC1

0.617

View
CCC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1

0.615

View
CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(=O)C(C)C)CC1

0.615

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCN(C(=O)CCc2ccccc2)CC1

0.615

View
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C1CCCCC1

0.614

View
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C1CCC1

0.614

View
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C1CCCC1

0.614

View
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C1CCCCCC1

0.614

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCCCCCC1

0.614

View
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C1CCCCCCC1

0.614

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCCCC1

0.614

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCCCCC1

0.614

View
CC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1

0.613

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCC1

0.610

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCCC1

0.610

View
CN1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1

0.610

View
CC(C)C(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1

0.609

View
CN(C)C(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1

0.609

View
CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(C)=O)CC1

0.609

View
CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O

0.607

View
CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC1

0.607

View
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C1CCOC1

0.607

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCCOC1

0.607

View
O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O

0.607

View
CC(C)(CCl)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O

0.607

View
CCOC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1

0.606

View
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C1CCN(C(=O)CCc2ccccc2)CC1

0.606

View
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC1

0.603

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F)C1CC1

0.603

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCC(F)CC1

0.603

View
O=C(O)C1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1

0.603

View
CC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1

0.603

View
O=C(Nc1cc(Cl)ccc1O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1

0.603

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1

0.603

View
CCC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)C1

0.603

View
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1

0.603

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCCCC1

0.600

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCCCCC1

0.600

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCCCCCC1

0.600

View
CCC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)C1

0.600

View
CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC1

0.600

View
CN1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2O)CC1

0.600

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCN(C2CC2)CC1

0.600

View
O=C(Nc1cc(Cl)ccc1O)C1CCN(S(=O)(=O)N2CCOCC2)CC1

0.600

View
CS(=O)(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1

0.600

View
O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)CCC(=O)N2CCOCC2)CC1

0.600

View
CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(=O)N(C)C)CC1

0.597

View
CS(=O)(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1

0.597

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CCN(C2CC2)CC1

0.597

View
CN(C)C(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1

0.597

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCN(C(=O)NC2CC2)CC1

0.597

View
CCS(=O)(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1

0.597

View
CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCOCC1

0.597

View
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C1CCCOC1

0.597

View
O=C(CCC(=O)N1CCOCC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O

0.597

View
CC(C)C(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1

0.597

View
CCS(=O)(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1

0.594

View
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(=O)C(C)C)CC1

0.594

View
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(=O)N(C)C)CC1

0.594

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(C)=O)CC1

0.594

View
CN(C)C(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1

0.594

View
CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C)CC1

0.594

View
CCC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2O)C1

0.594

View
CCOC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1

0.594

View
CCN(CC)C(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1

0.594

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)C1CC1

0.593

View
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCOCC1

0.593

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F)C1CCOCC1

0.593

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCC(O)CC1

0.593

View
O=C(Nc1cc(Cl)ccc1O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

0.593

View
O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)C1CCC(F)CC1

0.593

View
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCNCC1

0.593

View
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(C)=O)CC1

0.591

View
CCOC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1

0.591

View
CCN(CC)C(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1

0.591

View
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C(C)=O)CC1

0.591

View
CCC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1

0.591

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C12CC3CC(CC(C3)C1)C2

0.200

View
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCC1

0.199

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1CCCC1

0.198

View
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O

0.198

View
CCOc1ccccc1N1CC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)CC1=O

0.197

View
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCN(C(=O)c2ccco2)CC1

0.196

View
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCC1

0.195

View
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(C(=O)C(C)C)CC1

0.194

View
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCC1

0.193

View
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CCN(C(=O)N(C)C)CC2)c1

0.192

View
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(CC)CCCC1

0.189

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCCC1

0.188

View
CC(O)(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)C(F)(F)F

0.188

View
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC1C

0.187

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCN1C(=O)C2CCCCC2C1=O

0.186

View
O=C(CCN1C(=O)C2CC=CCC2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O

0.185

View
N#CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O

0.182

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(C)C

0.181

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(C)(C)C

0.181

View
CCc1ccccc1N1CC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)CC1=O

0.179

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

0.179

View
[C]C([C])=[C][C]1[C](C(=O)[N]c2cc(S(=O)(=O)N3[C][C]O[C][C]3)ccc2[O])C1([C])[C]

0.178

View
CCCCC(CC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC

0.178

View
CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)C2CCN(C(C)=O)CC2)c1

0.178

View
CCCCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O

0.176

View
CCCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O

0.176

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC(=O)N(C2CCCC(C)C2C)C1

0.176

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCCC1

0.174

View
COc1ccc(NC(=O)C2CCN(C(C)=O)CC2)cc1S(=O)(=O)N1CCOCC1

0.172

View
CCCC(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC

0.171

View
O=C(CCC1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O

0.171

View
CCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O

0.166

View
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC(=O)N(C2CCCC2)C1

0.165

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC1C

0.165

View
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1C(C)CCC2C(=O)N(C)C(=O)C21

0.164

View
O=C(CC1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O

0.163

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC1

0.161

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(CC(=O)NC2CC2)CCCCC1

0.155

View
CC(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O

0.147

View
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(CC(=O)NC2CC2)CCCC1

0.144

View
CN(C)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)c1

0.139

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)C1CCC1

0.137

View
CC(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1

0.131

View
Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)CC1

0.129

View
CC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)CC1

0.125

View
C(NC1=CC=C(S(N2CCOCC2)(=O)=O)C=C1)(=O)C1CCN(C(C)=O)CC1

0.858

View
C(NC1=C(C)C=CC(S(N2CCOCC2)(=O)=O)=C1)(=O)C1CCN(C(C)=O)CC1

0.852

View
C(NC1=CC=C(S(N2CCOCC2)(=O)=O)C=C1)(=O)C1CCN(C)CC1

0.812

View
C(NC1=C(C)C=CC(S(N2CCOCC2)(=O)=O)=C1)(=O)C1CCN(C)CC1

0.812

View
C(NC1=C(C)C=CC(S(N2CCOCC2)(=O)=O)=C1)(=O)C1CCN(C(C(F)(F)F)=O)CC1

0.809

View


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