Molecule Details

WAR-XCH-79d12f6e-4 View Submission
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCl)CC2)cc1
Assayed
Molecular Properties
SMILES:
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCl)CC2)cc1
MW: 330.837
Fraction sp3: 0.5
HBA: 3
HBD: 1
Rotatable Bonds: 4
TPSA: 66.48
cLogP: 1.50312
Covalent Warhead: ✔️
Covalent Fragment: ✔️
Activity Data
IC50 (µM) - Fluorescence: 33.5410302443085
IC50 (µM) - RapidFire: 18.4784572700529
Trypsin IC50 (µM): 99.0
pIC50 (µM) - Fluorescence 4.47442360176134
Average Inhibition @ 20 µM - Fluorescence: 25.13284
Average Inhibition @ 50 µM - Fluorescence: 59.26949
Average Inhibition @ 20 µM - RapidFire: 54.869692719237
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.01
Order Status
Ordered: 2020-04-17
Synthesis Location: enamine
Shipped: 2020-05-20

Hetero_hetero

O=C(CCl)Nc1cccnc1Cl

AAR-POS-0daf6b7e-20

View
CC(=O)N1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-21

View

Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)NC3CCN(C(=O)CCl)CC3)cc2)c(C)c1

DAV-UNK-07f953a2-1
0.562

View
Cc1ccc(S(=O)(=O)NC2CC3CC2CN3C(=O)CCl)cc1

MAK-UNK-df1a028e-5
0.507

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAR-LAB-efb042c5-5
0.476

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-68
0.476

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

AAR-POS-d2a4d1df-27
0.476

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

SAD-SAT-9a6c5cf3-2
0.449

View
Cc1cccc(NC2CCN(C(=O)CCl)CC2)c1

NIR-THE-0d6461ce-1
0.435

View
Cc1ccc(S(=O)(=O)NC(=O)CCl)cc1

SAD-SAT-65574d3f-4
0.431

View
Cc1ccc(S(=O)(=O)NC(=O)CCl)cc1

MAR-TRE-6a44bbf2-48
0.431

View
O=C(CCl)N1CCC(Nc2ccsc2)CC1

MAK-UNK-212f693e-13
0.418

View
Cc1cc(Cl)cc(NC2CCN(C(=O)CCl)CC2)c1

NIR-THE-0d6461ce-9
0.414

View
Cc1cc(C)nc(NC2CCN(C(=O)CCl)CC2)n1

GIA-UNK-a79af1bc-1
0.412

View
NS(=O)(=O)c1ccc2ccc(NC3CCN(C(=O)CCl)CC3)cc2c1

NIR-THE-0d6461ce-5
0.410

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

AAR-POS-0daf6b7e-5
0.403

View
Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1

AHN-SAT-de2502ba-8
0.391

View
Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1

AAR-POS-d2a4d1df-25
0.391

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

MAK-UNK-c97f7c8f-1
0.389

View
CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.382

View
Cc1ccc(S(=O)(=O)N2CC3CC2CN3C(=O)CCl)cc1

MAK-UNK-3f402c2b-5
0.375

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

LON-WEI-120e5cf5-13
0.373

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

MAK-UNK-7c9d1431-8
0.371

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

MAR-TRE-6a44bbf2-26
0.371

View
Cc1ccc(NC(=O)CN2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-12
0.371

View
O=C(CCc1ccccc1)NC1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-9
0.370

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

SAD-SAT-29425be4-6
0.367

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

MAK-UNK-af83ef51-6
0.361

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

BEN-DND-76ad4ac9-7
0.361

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

MAK-UNK-750cfbcc-2
0.361

View
Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)s2)cc1

NIM-UNI-05f93fcc-11
0.355

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

SAD-SAT-f2e2579e-5
0.354

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

MAK-UNK-c74072e5-8
0.352

View
O=C(CCl)N1CCC(S(=O)(=O)c2cccs2)CC1

MAK-UNK-987948f6-15
0.352

View
O=C(CCl)N1CCC(S(=O)(=O)C2=CC[SH]=C2)CC1

MAK-UNK-d4768348-6
0.352

View
Cc1cc(CN2CCN(C(=O)CCl)CC2)cc(S(N)(=O)=O)c1

SAD-SAT-581007d4-4
0.351

View
Cc1ccc(CN2CCCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-21
0.347

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

SAD-SAT-29425be4-3
0.346

View
NS(=O)(=O)c1ccc2c(c1)CN(CC1CCN(C(=O)CCl)CC1)CC2

STU-CHA-83dacf15-1
0.345

View
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-13
0.343

View
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-78
0.343

View
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c(C)c1

AAR-POS-d2a4d1df-36
0.342

View
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

AAR-POS-0daf6b7e-3
0.342

View
Cc1cc(Cl)cc(CC2CCN(C(=O)CCl)CC2)c1

NIR-THE-0d6461ce-8
0.342

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

LON-WEI-120e5cf5-10
0.342

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

MAR-TRE-6a44bbf2-15
0.342

View
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

MAR-TRE-6a44bbf2-13
0.342

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

AAR-POS-0daf6b7e-6
0.342

View
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

WAR-XCH-79d12f6e-6
0.342

View
NS(=O)(=O)c1ccc2ccc(CC3CCN(C(=O)CCl)CC3)cc2c1

NIR-THE-0d6461ce-4
0.341

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

SAD-SAT-9a6c5cf3-7
0.341

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

MAK-UNK-750cfbcc-1
0.339

View
N#CC1CCN(C(=O)CCl)CC1

MAK-UNK-6c8f5f75-1
0.339

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

WAR-XCH-b0339bbe-18
0.339

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

MAR-TRE-6a44bbf2-21
0.338

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

MAK-UNK-7c9d1431-9
0.338

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

MAR-TRE-6a44bbf2-86
0.338

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

LON-WEI-120e5cf5-15
0.338

View
Cc1ccc(C(c2ccccc2)N2CCN(C(=O)CCl)CC2)cc1

GIA-UNK-7337c2f3-7
0.338

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

SAD-SAT-29425be4-20
0.338

View
Cc1cccc(N(c2ccc(Br)s2)C2CCN(C(=O)CCl)CC2)c1

NIR-THE-0d6461ce-10
0.337

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

MAK-UNK-69bf97dd-9
0.337

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

MAK-UNK-7c9d1431-6
0.333

View
CC1Cc2ccc(S(N)(=O)=O)cc2CN1CC1CCN(C(=O)CCl)CC1

STU-CHA-7e77017b-1
0.333

View
Cc1cccc(N2CCN(C(=O)CCl)CC2)c1

SAD-SAT-5b1897b2-4
0.333

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

ASH-SAT-43770c7d-10
0.333

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

MAK-UNK-7c9d1431-19
0.333

View
Cc1ccc(S(=O)(=O)NC(=O)CC#N)cc1

MAR-TRE-14ce9fd6-26
0.333

View
Cc1cccc(N(c2ccc(Cl)s2)C2CCN(C(=O)CCl)CC2)c1

NIR-THE-0d6461ce-11
0.333

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

LON-WEI-120e5cf5-21
0.333

View
Cc1cccc(N(c2cccc(N)c2)C2CCN(C(=O)CCl)CC2)c1

MED-COV-4280ac29-4
0.333

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

MAK-UNK-69bf97dd-4
0.333

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

SAD-SAT-29425be4-13
0.333

View
COc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-17
0.333

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

VIR-GIT-7b3d3065-3
0.333

View
O=C(CCl)N1CCC(C(c2ccccc2)c2ccccc2)CC1

MAK-UNK-6ca90168-11
0.333

View
CN(C(=O)C1CCN(C(=O)CCl)CC1)c1ccccc1

LON-WEI-120e5cf5-5
0.333

View
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-19
0.333

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

AAR-POS-d2a4d1df-44
0.333

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

LON-WEI-120e5cf5-20
0.333

View
Cc1cc(CN2CCN(C(=O)CCl)CC2)cc(NCC(C)c2ccc(S(N)(=O)=O)cc2)c1

MAK-UNK-af83ef51-17
0.330

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

SAD-SAT-9a6c5cf3-5
0.329

View
O=C(CCl)N1CCC(NC2(c3cccnc3)CCCCC2)CC1

WAR-XCH-79d12f6e-5
0.329

View
O=C(CCl)N1CCC(NC2(C#CC3CCCCC3)CCCCC2)CC1

WAR-XCH-b0339bbe-7
0.329

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

LON-WEI-120e5cf5-1
0.329

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

AAR-POS-f650c5f2-4
0.329

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

LON-WEI-120e5cf5-17
0.329

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

AAR-POS-5507155c-2
0.329

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

MAR-TRE-6a44bbf2-32
0.329

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

ABB-MCD-f8003a30-1
0.329

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

MAR-TRE-6a44bbf2-58
0.329

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

KAY-MCD-d0fe5261-1
0.329

View
Cn1cnc(C#CC2(NC3CCN(C(=O)CCl)CC3)CCCCC2)c1

WAR-XCH-e55cba98-7
0.326

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

SAD-SAT-9a6c5cf3-9
0.326

View
Cc1cc2c(cc1S(N)(=O)=O)CN(CC1CCN(C(=O)CCl)CC1)CC2

STU-CHA-09bcc2f6-1
0.326

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

SAD-SAT-f2e2579e-10
0.325

View
Cc1ccnc2[nH]c(CC3CCN(C(=O)CCl)CC3)nc12

WAR-XCH-b0339bbe-3
0.325

View
CCNc1ncc(C#N)cc1NC1CCN(C(=O)CCl)CC1

NIR-THE-0d6461ce-7
0.325

View
CNS(=O)(=O)c1ccc2ccc(CN3CCN(C(=O)CCl)CC3)cc2c1

TAM-UNI-d1c3dd9f-6
0.325

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

MAK-UNK-c97f7c8f-2
0.325

View
CN(c1ccc(C#N)cn1)C1CCN(C(=O)CCl)CC1

VIK-SYN-9a3d118a-8
0.325

View
O=C(CCl)N1CCC(Cc2ccsc2)CC1

MAK-UNK-212f693e-32
0.324

View
O=C(CCl)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1

0.756

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1

0.721

View
COCCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1

0.705

View
CC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1

0.700

View
Cc1ccc(S(=O)(=O)C2CCN(C(=O)CCl)CC2)cc1

0.690

View
CCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)C1

0.674

View
Cc1ccc(CC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1

0.674

View
Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1

0.667

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1

0.667

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)cc1

0.667

View
CCC(CC)C(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1

0.659

View
Cc1ccc(OCC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1

0.653

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1

0.651

View
COC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1

0.651

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)C(C)(C)C)CC2)cc1

0.651

View
CS(=O)(=O)NC1CCN(C(=O)CCl)CC1

0.650

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(CCCl)cc3)CC2)cc1

0.646

View
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1

0.644

View
CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)C1

0.643

View
CCS(=O)(=O)NC1CCN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1

0.638

View
Cc1ccc(C(=O)NC2CCN(C(=O)CCl)CC2)cc1

0.636

View
Cc1ccc(SCC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1

0.633

View
Cc1cc(C)c(CC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1

0.633

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1

0.630

View
O=C(CCl)N1CCC(NS(=O)(=O)c2cccs2)CC1

0.630

View
Cc1ccc(OCCC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1

0.627

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)cc1

0.622

View
Cc1ccc(C(=O)CCC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1

0.620

View
CCS(=O)(=O)NC1CCN(C(=O)CCl)CC1

0.619

View
Cc1ccc(Oc2ccc(OCC(=O)N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)cc2)cc1

0.615

View
CC(C)CC(=O)N1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1

0.614

View
CCCS(=O)(=O)NC1CCN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1

0.612

View
Cc1cccc(C)c1CC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1

0.612

View
CC(=O)N1CC(NS(=O)(=O)c2ccc(C)cc2)C1

0.610

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

0.610

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1

0.609

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(Br)cc3)CC2)cc1

0.609

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc1

0.609

View
CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1

0.609

View
CC(=O)c1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1

0.609

View
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)C1

0.609

View
CNCC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1

0.609

View
Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1

0.608

View
Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)NC3CCN(C(=O)CC(C)C)CC3)cc2)cc1

0.608

View
COc1ccccc1CC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1

0.608

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(CCCCl)cc3)CC2)cc1

0.608

View
CC(C)CC(=O)N1CCC(NS(=O)(=O)c2ccc(CCl)cc2)CC1

0.604

View
CCc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1

0.604

View
Cc1ccc(OCCCC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1

0.604

View
Cc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1

0.600

View
CC(=O)N1CCC(NS(=O)(=O)c2ccc(CCl)cc2)CC1

0.600

View
CCC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1

0.600

View
Cc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1

0.600

View
CCOc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1

0.600

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)c(Cl)c3)CC2)cc1

0.600

View
COCCC(=O)N1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1

0.600

View
Cc1ccc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)cc1

0.600

View
Cc1ccc(S(=O)(=O)NC2CCN(CC(=O)O)CC2)cc1

0.600

View
Cc1ccc(SCCC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1

0.596

View
Cc1ccc(CCCCC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1

0.596

View
Cc1ccc(C=CCC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1

0.596

View
Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(NC3CCC3)CC2)cc1

0.596

View
CC(C)CC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1

0.596

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1

0.596

View
CNC(=O)c1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1

0.596

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C(N)=O)cc3)CC2)cc1

0.596

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(I)cc3)CC2)cc1

0.596

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(N)cc3)CC2)cc1

0.596

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C4CC4)cc3)CC2)cc1

0.596

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)CC2)cc1

0.596

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1

0.596

View
CC(=O)NC1CCN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1

0.596

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccncc3)CC2)cc1

0.596

View
CCNC1CCN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1

0.596

View
Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)CCl)CC2)cc1

0.596

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3CCCN3)CC2)cc1

0.596

View
CCN1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1

0.595

View
Cc1ccc(S(=O)(=O)NC2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1

0.595

View
Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](NS(=O)(=O)c3ccc(C)cc3)CC2)cc1

0.595

View
CC(C)CC(=O)N1CCC(NS(=O)(=O)c2ccc(CCCl)cc2)CC1

0.592

View
Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1

0.592

View
COCCC(=O)N1CCC(NS(=O)(=O)c2ccc(CCl)cc2)CC1

0.592

View
Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(NC(=O)C(C)C)CC2)cc1

0.592

View
Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1

0.591

View
CCC(=O)N1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1

0.591

View
NCC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1

0.591

View
CCCS(=O)(=O)NC1CCN(C(=O)CCl)CC1

0.591

View
Cc1ccc(CC2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1

0.588

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1Cl

0.588

View
Cc1ccc2cc(S(=O)(=O)NC3CCN(C(=O)CC(C)C)CC3)ccc2c1

0.588

View
CCC(C)(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)cc1

0.588

View
COCCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)c(Cl)c2)CC1

0.588

View
Cc1ccc(CCC2CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)cc1

0.588

View
Cc1cccc(C)c1NCC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1

0.588

View
Cc1ccc(CC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1

0.587

View
CC(=O)N1CCC(NS(=O)(=O)c2ccc(CCCl)cc2)CC1

0.587

View
CNC(=O)CN1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1

0.587

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1

0.587

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)CCl)CC2)cc1

0.587

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCC3)C2)cc1

0.587

View
CCC(=O)NCCCNS(=O)(=O)c1ccc(C)cc1

0.200

View
Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1

0.200

View
CC(=O)N1CCC(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1

0.199

View
CCN1CCC(NS(=O)(=O)c2ccc(C)cc2C)CC1.Cl

0.199

View
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCCCC2)cc1

0.198

View
Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1

0.196

View
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2)cc1

0.193

View
CC(=O)N1CCC(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1

0.192

View
N#Cc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1

0.191

View
Cc1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1

0.190

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cc(C)cc(C)c3)CC2)cc1

0.190

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3cccc(C)c3)CC2)cc1

0.190

View
Cc1ccc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)cc1

0.189

View
CC(C)N1CCC(NS(=O)(=O)c2ccc(C#N)cc2)CC1.Cl

0.188

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1

0.186

View
CC(=O)NCCCNS(=O)(=O)c1ccc(C)cc1

0.184

View
Cc1ccc(S(=O)(=O)NCCCNC(=O)C(Cl)(Cl)Cl)cc1

0.181

View
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2C)cc1

0.178

View
Cc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1

0.177

View
Cc1cc(C)c(S(=O)(=O)NC2CCN(C(=O)CC(C)C)CC2)c(C)c1

0.174

View
CCCN1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1.Cl

0.173

View
C=Cc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)cc1

0.173

View
CCC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1

0.172

View
CC(=O)N1CCC(NS(=O)(=O)c2ccc(C)c(Cl)c2)CC1

0.172

View
N#Cc1ccc(S(=O)(=O)NCCCN2CCCCCC2=O)cc1

0.168

View
Cc1ccc(S(=O)(=O)NC2CCN(C)C(=O)C2)cc1

0.167

View
Cc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1

0.166

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1

0.164

View
CC(=O)N1CCC(NS(=O)(=O)c2ccc(C)c(F)c2)CC1

0.162

View
CCN1CCC(NS(=O)(=O)c2ccc(C)cc2)CC1.Cl

0.156

View
CC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1

0.150

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CCC3)CC2)cc1

0.148

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCC3CCCC3)CC2)cc1

0.147

View
Cc1ccc(S(=O)(=O)NCCCNC(=O)CCl)cc1

0.136

View
Cc1ccc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)cc1

0.126

View
CC(=O)N1CCC(NS(=O)(=O)c2c(C)cc(C)cc2C)CC1

0.115

View
CC(=O)N1CCC(NS(=O)(=O)c2ccc(C#N)cc2)CC1

0.085

View
N(S(=O)(=O)C1C=CC(C)=CC=1)C1CCN(C)CC1

0.870

View
N(S(=O)(=O)C1C=CC(CC)=CC=1)C1CCN(C)CC1

0.842

View
N(S(=O)(=O)C1C=CC(C#N)=CC=1)C1CCN(C)CC1

0.838

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

0.831

View
N(S(=O)(=O)C1C=CC(C)=CC=1)C1C2CN(C(C)=O)CC12

0.828

View

Discussion:

Contributor: Warren Thompson, XChem - Diamond Light Source - Thu, 02 Apr 2020 21:53:12 +0000