Molecule Details

O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1
piperazine-chloroacetamide Enamine Mcule MolPort Assayed
View on Fragalysis x0689
Molecular Properties
SMILES:
O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1
MW: 308.812
Fraction sp3: 0.5
HBA: 4
HBD: 0
Rotatable Bonds: 3
TPSA: 57.69
cLogP: 0.8198
Covalent Warhead: ✔️
Covalent Fragment:
Source
Enamine BB: EN300-23037
Enamine SCR: Z147647358
Enamine REAL: Z212045150
Mcule: MCULE-2309546619
MolPort: MolPort-002-470-627
Activity Data
IC50 (µM) - Fluorescence: 2.16182906157181
IC50 (µM) - RapidFire: 0.556543843367161
Trypsin IC50 (µM): 99.0
pIC50 (µM) - Fluorescence 5.66517864921299
Average Inhibition @ 20 µM - Fluorescence: 99.2957
Average Inhibition @ 50 µM - Fluorescence: 99.55992
Average Inhibition @ 20 µM - RapidFire: 97.8875
Average Inhibition @ 50 µM - RapidFire: 97.79
Relative Solubility @ 20 µM: 1.0
Relative Solubility @ 100 µM: 1.0
Order Status
Shipped: 2020-04-17

Hetero_hetero

O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

LON-WEI-8f408cad-3
1.000

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O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

MAR-TRE-6a44bbf2-52
1.000

View
O=C(CCl)N1CCCN(S(=O)(=O)c2cccs2)CC1

BEN-DND-76ad4ac9-13
0.811

View
CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

MAK-UNK-6435e6c2-1
0.680

View
C=CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

MAK-UNK-10dfa458-4
0.630

View
O=C(CCl)C1CCN(S(=O)(=O)c2cccs2)CC1

BEN-DND-76ad4ac9-1
0.618

View
N#CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

MAK-UNK-10dfa458-26
0.618

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

SAD-SAT-f2e2579e-8
0.618

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1

AAR-POS-0daf6b7e-15
0.571

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1

NIM-UNI-05f93fcc-1
0.561

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccsc2)CC1

MAT-POS-ee51dedd-2
0.544

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

MAR-TRE-6a44bbf2-21
0.536

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

MAK-UNK-7c9d1431-9
0.536

View
O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

AAR-POS-d2a4d1df-32
0.534

View
O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

MAR-TRE-6a44bbf2-4
0.534

View
O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

LON-WEI-8f408cad-2
0.534

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

MAK-UNK-987948f6-15
0.517

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1

MAK-UNK-7c9d1431-12
0.508

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3nccs3)s2)CC1

NIM-UNI-05f93fcc-13
0.507

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)CC1

NIM-UNI-05f93fcc-2
0.500

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

LON-WEI-8f408cad-4
0.500

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

AAR-POS-d2a4d1df-23
0.500

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

MAR-TRE-6a44bbf2-18
0.500

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

AAR-POS-d2a4d1df-44
0.500

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccncc3)s2)CC1

NIM-UNI-310206f0-69
0.493

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2F)CC1

AAR-POS-d2a4d1df-34
0.492

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2F)CC1

MAR-TRE-6a44bbf2-8
0.492

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

MAK-UNK-7c9d1431-17
0.492

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

KAY-MCD-d0fe5261-1
0.492

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

MAR-TRE-6a44bbf2-58
0.492

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

AAR-POS-d2a4d1df-27
0.492

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

MAR-TRE-6a44bbf2-68
0.492

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccoc2)CC1

SAD-SAT-3a925b8b-2
0.492

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

MAR-LAB-efb042c5-5
0.492

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3Cl)s2)CC1

NIM-UNI-05f93fcc-3
0.485

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

NIM-UNI-05f93fcc-11
0.485

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

MAR-TRE-6a44bbf2-78
0.483

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

MAK-UNK-7c9d1431-13
0.483

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

MAK-UNK-69bf97dd-10
0.481

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccc[nH]3)s2)CC1

NIM-UNI-05f93fcc-5
0.478

View
O=C(CCl)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1

SAD-SAT-bc31ec01-5
0.475

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccc(O)cc3)s2)CC1

NIM-UNI-05f93fcc-14
0.471

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

MAK-UNK-c74072e5-8
0.468

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

MAR-TRE-6a44bbf2-26
0.468

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

MAK-UNK-7c9d1431-8
0.468

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

MAK-UNK-7c9d1431-6
0.468

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CC[SH]=C2)CC1

MAK-UNK-d4768348-1
0.467

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CCC=C2)CC1

SAD-SAT-3a925b8b-9
0.467

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CC[SH]=N2)CC1

MAK-UNK-d4768348-4
0.467

View
O=C(CCl)N1CCN(C(=O)c2cccs2)CC1

AAR-POS-0daf6b7e-16
0.466

View
COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)s2)cc1

NIM-UNI-05f93fcc-15
0.465

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)CC1

NIM-UNI-05f93fcc-10
0.465

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3cccnc3)s2)CC1

NIM-UNI-05f93fcc-6
0.465

View
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-7
0.462

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

MAR-TRE-6a44bbf2-65
0.462

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

MAK-UNK-7c9d1431-19
0.462

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

MAK-UNK-7c9d1431-11
0.462

View
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCl)CC1

AAR-POS-d2a4d1df-37
0.462

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

TAT-ENA-80bfd3e5-43
0.462

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

MAK-UNK-7c9d1431-10
0.460

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

MAR-TRE-6a44bbf2-32
0.460

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

ABB-MCD-f8003a30-1
0.460

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CCN=C2)CC1

MAK-UNK-d4768348-5
0.459

View
O=C(CCl)N1CCN(S(=O)(=O)C2=C(Cl)CC=C2)CC1

SAD-SAT-3a925b8b-6
0.459

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CCS(O)=C2)CC1

MAK-UNK-d4768348-8
0.459

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CN[SH]=C2)CC1

MAK-UNK-d4768348-2
0.459

View
O=C(CCl)N1CCN(S(=O)(=O)c2cocn2)CC1

SAD-SAT-3a925b8b-3
0.459

View
Cc1cc(C)cc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)s2)c1

NIM-UNI-05f93fcc-7
0.457

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3cncnc3)s2)CC1

NIM-UNI-310206f0-67
0.457

View
O=C(CCl)N1CC2CC1CN2S(=O)(=O)c1cccs1

MAK-UNK-3f402c2b-1
0.455

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

AAR-POS-0daf6b7e-3
0.453

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

WAR-XCH-79d12f6e-6
0.453

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

MAR-TRE-6a44bbf2-13
0.453

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

AAR-POS-d2a4d1df-36
0.453

View
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-24
0.452

View
CS1=CC(S(=O)(=O)N2CCN(C(=O)CCl)CC2)=CC1

MAK-UNK-d4768348-7
0.452

View
O=C(CCl)N1CCN(S(=O)(=O)C2=NC[SH]=C2)CC1

MAK-UNK-d4768348-3
0.452

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3cn[nH]c3)s2)CC1

NIM-UNI-310206f0-71
0.451

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3c[nH]cn3)s2)CC1

NIM-UNI-05f93fcc-17
0.451

View
O=C(CCl)N1CCN(Cc2cccs2)CC1

LON-WEI-8f408cad-5
0.450

View
O=C(CCl)N1CCN(Cc2cccs2)CC1

AAR-POS-0daf6b7e-17
0.450

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

IND-SYN-6c8299e8-2
0.448

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

MAK-UNK-7c9d1431-3
0.448

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

MAK-UNK-7c9d1431-4
0.448

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

TAT-ENA-80bfd3e5-25
0.448

View
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-7c9d1431-22
0.446

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(-c3ncco3)s2)CC1

NIM-UNI-05f93fcc-9
0.444

View
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

MAK-UNK-7c9d1431-30
0.441

View
COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1

MAR-TRE-6a44bbf2-45
0.441

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(OCC3CCOCC3)s2)CC1

NIM-UNI-310206f0-70
0.440

View
COS1=CC(S(=O)(=O)N2CCN(C(=O)CCl)CC2)=CC1

MAK-UNK-d4768348-9
0.439

View
O=C(CCl)N1CCN(S(=O)(=O)C2=C3CC3[SH]=C2)CC1

SAD-SAT-3a925b8b-7
0.438

View
O=C(CCl)N1CCN(S(=O)(=O)c2cpcc(Cl)c2)CC1

SAD-SAT-bc31ec01-4
0.438

View
O=C(CCl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1

MAR-TRE-6a44bbf2-28
0.435

View
O=C(CCl)N1CCN(S(=O)(=O)Cc2ccccc2)CC1

MAK-UNK-7c9d1431-23
0.435

View
O=C(CCl)N1CCCN(S(=O)(=O)c2c(F)cccc2F)CC1

BEN-DND-76ad4ac9-12
0.433

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(C3=CCOCC3)s2)CC1

NIM-UNI-310206f0-68
0.432

View
O=C(CCl)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1

SAD-SAT-f2e2579e-3
0.431

View
O=C(CCl)N1CCCN(S(=O)(=O)c2ccccc2F)CC1

BEN-DND-76ad4ac9-11
0.426

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

BEN-DND-76ad4ac9-14
0.426

View
O=C(CO)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.740

View
CCC(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.740

View
CN(C)CC(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.685

View
COCC(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.685

View
CC(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.680

View
CC(C)CC(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.673

View
O=C(CN1C(=O)CCC1=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.655

View
O=C(O)C(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.654

View
O=C(CC1=CC=CS1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.649

View
O=C(CN1CCCC1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.649

View
O=S(=O)(C1=CC=CS1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.644

View
CCC(=O)N1CCCN(S(=O)(=O)C2=CC=CS2)CC1

0.638

View
CCN(CC)CC(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.638

View
COC(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.630

View
CN(C)C(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.630

View
O=C(CC1=CC=CC=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.627

View
O=C(CC1CCCCC1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.627

View
O=C(CC1=CC=C(Cl)C=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.623

View
O=C(CC1=CC=CC=C1Cl)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.623

View
O=C(CC1=CC=CC=C1F)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.623

View
CC(C)(C)C(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.618

View
CC(C)C(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.618

View
O=C(N1CCNCC1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.614

View
CCOC(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.614

View
CCN(CC)C(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.614

View
O=C(N1CCCC1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.607

View
O=C(C(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1)N1CCCC1

0.607

View
O=C(C1CC1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.607

View
CC(O)C(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.607

View
CCNC(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.603

View
CCC(CC)C(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.603

View
CCOC(=O)C(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.603

View
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.603

View
O=C(CN1CCOCC1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.597

View
CC1=CC=C(CC(=O)N2CCN(S(=O)(=O)C3=CC=CS3)CC2)C=C1

0.597

View
O=C(CCC1CCCC1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.597

View
O=C(C1=CC=CS1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.596

View
CC(C)CC(=O)N1CCCN(S(=O)(=O)C2=CC=CS2)CC1

0.587

View
O=C(N1CCCCC1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.586

View
O=C(C1=CC=CC=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.586

View
O=C(N1CCOCC1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.586

View
NC(=O)N1CCCN(S(=O)(=O)C2=CC=CS2)CC1

0.586

View
COC(OC)C(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.586

View
O=C(COC1=CC=C(Br)C=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.585

View
O=C(CN1CCN(S(=O)(=O)C2=CC=CS2)CC1)N1CCCC1

0.583

View
O=C(C1=C(Cl)C=CC=C1Cl)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.583

View
O=C(C1=CC=C(Cl)C=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.583

View
O=C(CCC1CCCCC1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.578

View
O=C(CC1CCCC1)N1CCCN(S(=O)(=O)C2=CC=CS2)CC1

0.578

View
O=C(C1=CSC=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.576

View
CC(C)(C)NC(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.576

View
O=C(C1=CC(Cl)=CC(Cl)=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.574

View
CCCOC(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.574

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CC=C(Cl)S2)CC1

0.571

View
O=C(O)CN1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.571

View
O=C(CCCC1=CC=CC=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.569

View
CC1=CC(C)=CC(OCC(=O)N2CCN(S(=O)(=O)C3=CC=CS3)CC2)=C1

0.569

View
CC(=O)N1CCCN(S(=O)(=O)C2=CC=CS2)CC1

0.569

View
O=C(C(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1)N1CCOCC1

0.567

View
O=C(C1=CC=C(O)C=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.567

View
O=C(CN1CCN(S(=O)(=O)C2=CC=CS2)CC1)N1CCCCCC1

0.565

View
O=C(CN1CCN(S(=O)(=O)C2=CC=CS2)CC1)N1CCCCC1

0.565

View
CC(C)COC(=O)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.565

View
O=C(CCl)N1CCN(S(=O)(=O)C2=C(Cl)C=CC=C2Cl)CC1

0.564

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CC=C(Br)S2)CC1

0.561

View
O=C(COC1=CC=C(F)C=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.561

View
CC1=CC=C(OCC(=O)N2CCN(S(=O)(=O)C3=CC=CS3)CC2)C=C1

0.561

View
O=C(CC1=CC(F)=CC=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.561

View
CC(=O)NCC(=O)N1CCCN(S(=O)(=O)C2=CC=CS2)CC1

0.561

View
COC1=CC=C(CCC(=O)N2CCN(S(=O)(=O)C3=CC=CS3)CC2)C=C1

0.561

View
O=C(C1=CC=C(F)C=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.557

View
CC1=CC=C(C(=O)N2CCN(S(=O)(=O)C3=CC=CS3)CC2)C=C1

0.557

View
O=C(C1=CC=C(Br)C=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.557

View
O=C(C1=C(F)C=CC=C1F)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.557

View
CCC1=CC=C(C(=O)N2CCN(S(=O)(=O)C3=CC=CS3)CC2)C=C1

0.556

View
O=C(C1=CC(Cl)=CC=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.556

View
O=S(=O)(C1=CC=CS1)N1CCCN(S(=O)(=O)C2=CC=CS2)CC1

0.549

View
O=C(C1=CC=C(Cl)C=C1Cl)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.538

View
O=C(C1=C(Cl)C(Cl)=CC=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.538

View
COC1=CC=CC(CC(=O)N2CCN(S(=O)(=O)C3=CC=CS3)CC2)=C1

0.536

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CC=CC=C2)CC1

0.536

View
O=C(CCl)N1CCN(S(=O)(=O)C2=C(F)C=CC=C2F)CC1

0.534

View
O=C(OCC1=CC=CC=C1)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.530

View
O=C(CCC1=CC=CC=C1)N1CCCN(S(=O)(=O)C2=CC=CS2)CC1

0.529

View
O=C(CC1CCN(S(=O)(=O)C2=CC=CS2)CC1)N1CCCC1

0.524

View
O=C(CCl)N1CCC(NS(=O)(=O)C2=CC=CS2)CC1

0.516

View
O=C(CC1=C[NH]C2=CC=CC=C12)N1CCN(S(=O)(=O)C2=CC=CS2)CC1

0.514

View
O=S(=O)(C1=CC=CS1)N1CCSSCC1

0.509

View
O=S(=O)(C1=CC=CS1)N1CCN(C2=CC=CS2)CC1

0.509

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CC=CC=C2Cl)CC1

0.508

View
O=C(CN1CCCN(S(=O)(=O)C2=CC=CS2)CC1)N1CCCC1

0.507

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1

0.500

View
O=C(CC1=CC(F)=CC=C1)N1CCCN(S(=O)(=O)C2=CC=CS2)CC1

0.500

View
O=C(CNS(=O)(=O)C1=CC=CS1)N1CCN(S(=O)(=O)C2=CC=C(Cl)S2)CC1

0.479

View
O=C(CS(=O)(=O)C1=CC=CS1)N1CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)CC1

0.478

View
O=C(CS(=O)(=O)C1=CC=CS1)N1CCN(S(=O)(=O)C2=CC=CC=C2)CC1

0.478

View
O=C(CCl)N1CCCN(S(=O)(=O)C2=CC=C(Cl)S2)CC1

0.477

View
O=C(CCl)N1CCN(C2=CC=CS2)CC1

0.474

View
O=C(CCl)N1CCCN(S(=O)(=O)C2=CC=C(Br)S2)CC1

0.470

View
O=C(CCl)N1CCN(C(=O)C2=CC=CS2)CC1

0.466

View
CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1

0.200

View
CC(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1

0.200

View
O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2cccs2)CC1

0.199

View
CC(CC(=O)O)CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.195

View
CC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1

0.195

View
CC(=O)NC(C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1)C(C)C

0.195

View
O=C(CN1CCCCCC1=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.195

View
CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)s2)CC1

0.194

View
COCCNC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1

0.193

View
CC#CC(=O)NCCN(C)S(=O)(=O)c1cccs1

0.193

View
CCNC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.191

View
O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCC1

0.190

View
N#CCCNC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1

0.190

View
O=C(CCC1CCCC1)N1CCN(S(=O)(=O)c2cccs2)CC1

0.189

View
O=C(Cc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1

0.189

View
CN(CCNC(=O)C(F)(F)Cl)S(=O)(=O)c1cccs1

0.189

View
O=C(O)CCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.186

View
CC(C)(C)C(=O)NCCCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.186

View
CCCNC(=O)C(C)N1CCN(S(=O)(=O)c2cccs2)CC1

0.185

View
O=C(C1CCCC1)N1CCN(S(=O)(=O)c2cccs2)CC1

0.185

View
CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1

0.185

View
NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1

0.182

View
CC(C(=O)NC(C)(C)C)N1CCN(S(=O)(=O)c2cccs2)CC1

0.180

View
O=S(=O)(c1cccs1)N1CCN(CCO)CC1

0.177

View
O=C(C1CCC1)N1CCN(S(=O)(=O)c2cccs2)CC1

0.177

View
CC(C)(C)SCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.176

View
CC1CC1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.176

View
CCC(CC)NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1

0.175

View
CCC(C)NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1

0.175

View
NC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.171

View
CCN(CC(=O)N1CCNCC1)S(=O)(=O)c1cccs1

0.170

View
C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1

0.166

View
C#CCN1CCN(S(=O)(=O)c2cccs2)CC1

0.166

View
C=CC(=O)NCCN(C)S(=O)(=O)c1cccs1

0.165

View
CC(C)N1CCN(S(=O)(=O)c2cccs2)CC1

0.161

View
CC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1

0.161

View
CC(C)N(C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)C(C)C

0.156

View
[C]C([C])=[C]C(=O)N1[C][C]N(S(=O)(=O)c2cccs2)[C][C]1

0.153

View
CCC(CC)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.153

View
CN1CCN(S(=O)(=O)c2cccs2)CC1

0.152

View
O=C(C1CC1)N1CCN(S(=O)(=O)c2cccs2)CC1

0.148

View
CN(C)C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1

0.146

View
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1

0.146

View
CCN1CCN(S(=O)(=O)c2cccs2)CC1

0.146

View
CCN1CCN(C(=O)C(C)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1.Cl

0.145

View
CC(C)(C)C(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.144

View
COCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.139

View
CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.134

View
CC(C)CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.134

View
CC(Cl)C(=O)NCCN(C)S(=O)(=O)c1cccs1

0.132

View
CC#CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.129

View
CC(C)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.124

View
CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.124

View
CCCC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.118

View
C=CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1

0.091

View
CN(CCNC(=O)CCl)S(=O)(=O)c1cccs1

0.082

View
C(N1CCN(S(C)(=O)=O)CC1)(=O)C1CCN(S(C2SC=CC=2)(=O)=O)CC1

0.478

View


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