Molecule Details

O=C(CCl)N1CCN(Cc2nc(-c3cccs3)no2)CC1
piperazine-chloroacetamide Enamine Assayed
Molecular Properties
SMILES:
O=C(CCl)N1CCN(Cc2nc(-c3cccs3)no2)CC1
MW: 326.06
Fraction sp3: 0.46
HBA: 6
HBD: 0
Rotatable Bonds: 4
TPSA: 62.47
cLogP: 1.68
Covalent Warhead: ✔️
Covalent Fragment: ✔️
Source
Enamine REAL: Z1562121284
Enamine Extended REAL: m_270062____7597420____8147258
Activity Data
Average Inhibition @ 20 µM - Fluorescence: 6.55148
Average Inhibition @ 50 µM - Fluorescence: 16.96972
Relative Solubility @ 20 µM: 0.98
Relative Solubility @ 100 µM: 0.93
Order Status
Ordered: 2020-05-17
Synthesis Location: enamine
Shipped: 2020-06-16
CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8

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O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11

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O=C(CC1CCCCC1)Nc1cccnc1

ALE-HEI-f28a35b5-9

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

LON-WEI-8f408cad-3

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

LON-WEI-8f408cad-4

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O=C(CCl)N1CC2CC1CN2Cc1nc(-c2cccs2)no1

MAK-UNK-5d2caa6f-7
0.544

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

AAR-POS-0daf6b7e-17
0.507

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

LON-WEI-8f408cad-5
0.507

View
O=C(CCl)N1CCN(Cc2ccsc2)CC1

MAK-UNK-212f693e-8
0.429

View
O=C(CCl)N1CCN(Cc2ccsc2)CC1

AAR-POS-0daf6b7e-13
0.429

View
O=C(CCl)N1CCN(Cc2ccsc2)CC1

LON-WEI-8f408cad-7
0.429

View
N#Cc1ccsc1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-1
0.421

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

MAK-UNK-7c9d1431-24
0.412

View
Cc1nc(CN2CCN(C(=O)CCl)CC2)cs1

SAD-SAT-5b1897b2-2
0.405

View
O=C(CCl)N1CCN(Cc2ccc(Cl)s2)CC1

AAR-POS-0daf6b7e-2
0.403

View
O=C(CCl)N1CCN(Cc2ccco2)CC1

MAK-UNK-7c9d1431-28
0.403

View
O=C(CCl)N1CCN(Cc2cscc2Cl)CC1

SAD-SAT-bc31ec01-1
0.403

View
O=C(CCl)N1CCN(Cc2cnc(Cc3ccsc3)s2)CC1

MAK-UNK-e4a48a85-21
0.400

View
O=C(CCl)N1CCN(Cc2cnc(Cc3ccccc3)s2)CC1

MED-COV-4280ac29-25
0.398

View
Cc1ccc(CN2CCN(C(=O)CCl)CC2)o1

MAR-LAB-ca4662a6-2
0.397

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O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

MED-COV-4280ac29-15
0.397

View
O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1

AAR-POS-0daf6b7e-12
0.397

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

AAR-POS-d2a4d1df-35
0.397

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O=C(CCl)N1CCN(Cc2ccc(Br)s2)CC1

JOH-UNI-27ac80fd-23
0.397

View
Cc1ccccc1CN1CCN(C(=O)CCl)CC1

MAK-UNK-7c9d1431-20
0.392

View
Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

AAR-POS-d2a4d1df-24
0.392

View
O=C(CCl)N1CCN(Cc2ncc(Cc3ccsc3)s2)CC1

MAK-UNK-e4a48a85-20
0.388

View
O=C(CCl)N1CCN(Cc2ccc(Cl)cc2)CC1

MAK-UNK-7c9d1431-29
0.386

View
O=C(CCl)N1CCN(Cc2scc3ccccc23)CC1

PAU-UNI-b2b6b158-1
0.383

View
O=C(CCl)N1CCN(Cc2ncc(Cc3ccccc3)s2)CC1

MED-COV-4280ac29-8
0.381

View
O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1

MED-COV-4280ac29-31
0.380

View
O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1

AAR-POS-d2a4d1df-40
0.380

View
O=C(CCl)N1CCN(Cc2cc(F)cc3ccccc23)CC1

DAR-DIA-fb20be43-2
0.378

View
O=C(CCl)N1CCN(Cc2cnc(-c3ccccc3)nc2)CC1

MAK-UNK-af83ef51-1
0.375

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

AAR-POS-0daf6b7e-16
0.375

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CN(C)Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

JOK-SYG-18591e8f-1
0.372

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Nc1csc(O)c1CN1CCN(C(=O)CCl)CC1

ASH-SAT-43770c7d-5
0.368

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O=C(CCl)N1CCN(Cc2cc(O)ccc2O)CC1

NEH-REV-107bcf72-5
0.368

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCO3)CC1

MAK-UNK-7c9d1431-14
0.367

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Nc1nc(CN2CCN(C(=O)CCl)CC2)ncc1Cc1ccsc1

MAK-UNK-e4a48a85-22
0.367

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COCc1cc(CN2CCN(C(=O)CCl)CC2)sc1Br

JOH-UNI-27ac80fd-38
0.366

View
N#Cc1ccc(CN2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-6ca90168-14
0.365

View
O=C(CCl)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1

PAU-UNI-8cdd41c7-1
0.361

View
CCNc1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-3
0.360

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

MAR-TRE-6a44bbf2-52
0.360

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

LON-WEI-8f408cad-3
0.360

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

AAR-POS-d2a4d1df-22
0.360

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O=C(CCl)N1CCN(Cc2c(F)cccc2Cl)CC1

AHN-SAT-de2502ba-15
0.359

View
CNc1nc(CN2CCN(C(=O)CCl)CC2)ncc1-c1ccsc1

MAK-UNK-e4a48a85-23
0.359

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CCNc1ccccc1CN1CCN(C(=O)CCl)CC1

SEL-UNI-cd366922-6
0.358

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O=C(CCl)N1CCN(CC2=CC3OCOC3C=C2)CC1

SAD-SAT-bc31ec01-7
0.358

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CC(=O)Nc1scc(C#N)c1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-6
0.357

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O=C(CCl)N1CCN(Cc2cc(Cl)cc3ccccc23)CC1

PAU-UNI-19862c28-1
0.357

View
O=C(CCl)N1CCN(Cc2cc(Cl)cc3ccccc23)CC1

DAR-DIA-fb20be43-8
0.357

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O=C(CCl)N1CCN(Cc2ccc(CS(=O)(=O)F)cc2)CC1

JIA-UNI-93b03cae-1
0.355

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O=C(NCCN1CCN(C(=O)CCl)CC1)c1ccccc1

STE-KUL-2e0d2e88-1
0.354

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NS(=O)(=O)CCc1ccccc1CN1CCN(C(=O)CCl)CC1

MIH-UNI-e573136b-5
0.354

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CNC(=O)Cc1c(C)cccc1CN1CCN(C(=O)CCl)CC1

STE-UNK-13e151dd-1
0.353

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1

MAK-UNK-7c9d1431-16
0.350

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COc1ccc(CN2CCN(C(=O)CCl)CC2)cc1F

SAD-SAT-5b1897b2-5
0.350

View
N#Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAT-POS-ee51dedd-1
0.350

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)OCCO3)CC1

MAR-TRE-6a44bbf2-54
0.350

View
CC(=O)Nc1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1

TAM-UNI-d1c3dd9f-18
0.349

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Nc1nc(CN2CCN(C(=O)CCl)CC2)ncc1Cc1ccccc1

MED-COV-4280ac29-19
0.348

View
Cc1ccccc1CN1CCCN(C(=O)CCl)CC1

AAR-POS-d2a4d1df-41
0.346

View
Cc1ccccc1CN1CCCN(C(=O)CCl)CC1

TAT-ENA-80bfd3e5-20
0.346

View
O=C(CCl)N1CCN(Cc2cn(Cc3ccccc3)nn2)CC1

STE-KUL-2e0d2e88-7
0.345

View
O=C(CCl)N1CCN(Cc2cc(Cl)cc3cnccc23)CC1

JOO-PER-58e158bd-1
0.345

View
COc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1

DAR-DIA-fb20be43-7
0.345

View
N#Cc1nccc(-c2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-6
0.344

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

MAK-UNK-6ca90168-20
0.342

View
N#Cc1csc(NCO)c1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-5
0.341

View
NS(=O)(=O)c1ccc2cccc(CN3CCN(C(=O)CCl)CC3)c2c1

MIH-UNI-e573136b-4
0.341

View
N#Cc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1

DAR-DIA-fb20be43-6
0.341

View
O=C(CCl)N1CCN(Cc2cc(O)cc(Cl)c2)CC1

MAT-POS-2db6411e-2
0.338

View
O=C(CCl)N1CCN(Cc2cc(O)cc(Cl)c2)CC1

SAD-SAT-581007d4-7
0.338

View
O=C(CCl)N1CCN(Cc2cc(F)cc(Cl)c2)CC1

SAD-SAT-581007d4-1
0.338

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

SAD-SAT-581007d4-2
0.338

View
CCNc1scc(C#N)c1CN1CCN(C(=O)CCl)CC1

DAV-CRI-d1e0885a-4
0.337

View
CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

PAU-UNI-52c0427f-1
0.337

View
CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

BRU-LEF-ae0885ba-1
0.337

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

NIM-UNI-05f93fcc-13
0.337

View
CCNc1ncc(C#N)cc1CN1CCN(C(=O)CCl)CC1

DAR-DIA-fb20be43-4
0.337

View
CC(=O)N1CCCc2cccc(CN3CCN(C(=O)CCl)CC3)c2C1

TAM-UNI-d1c3dd9f-13
0.337

View
CNCCSC(=O)c1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAK-UNK-176ca439-3
0.337

View
CNCCSC(=O)c1cccc(CN2CCN(C(=O)CCl)CC2)c1

MAK-UNK-cd94b63c-1
0.337

View
NS(=O)(=O)Cc1nc2cccc(CN3CCN(C(=O)CCl)CC3)c2[nH]1

STU-CHA-0f79177c-1
0.337

View
N#Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1C(=O)N1CCC(O)CC1

MAK-UNK-10dfa458-38
0.337

View
O=C(CCl)N1CCN(Cc2cc(O)cc3c2OCO3)CC1

NEH-REV-107bcf72-3
0.333

View
O=C(CCl)N1CCN(CCCc2ccccc2)CC1

MAK-UNK-15efde89-1
0.333

View
COCCc1cc(Br)sc1CN1CCN(C(=O)CCl)CC1

JOH-UNI-27ac80fd-39
0.333

View
O=C1Cc2c(cccc2CN2CCN(C(=O)CCl)CC2)CCN1

TAM-UNI-d1c3dd9f-14
0.333

View
COc1cc(C)c(CN2CCN(C(=O)CCl)CC2)cc1OC

SAD-SAT-65574d3f-10
0.333

View
O=C(CCl)N1CCN(Cc2ccc3c(c2)CCO3)CC1

MAK-UNK-7c9d1431-18
0.333

View
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCl)CC1

TAT-ENA-80bfd3e5-30
0.333

View
O=C(NCCN1CCN(C(=O)CCl)CC1)c1cccnc1

STE-KUL-2e0d2e88-3
0.333

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

MAK-UNK-212f693e-13
0.333

View
NS(=O)(=O)c1ccc2c(CN3CCN(C(=O)CCl)CC3)cccc2c1

DAR-DIA-fb20be43-9
0.333

View
NS(=O)(=O)c1ccc2c(CN3CCN(C(=O)CCl)CC3)cc(F)cc2c1

DAR-DIA-fb20be43-12
0.333

View
N#Cc1nccc(CCc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-8
0.333

View
N#Cc1cnc(CCO)cc1CN1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-35
0.333

View
CNC(=O)c1cc2cccc(CN3CCN(C(=O)CCl)CC3)c2nc1N1CCN(C)CC1

BOG-INS-0b2b845a-1
0.330

View
N#Cc1nccc(Nc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-3
0.330

View
N#Cc1nccc(Sc2cccc(CN3CCN(C(=O)CCl)CC3)c2)n1

MAK-UNK-849bee6c-17
0.330

View
Cc1cc(CN2CCN(C(=O)CCl)CC2)cc(Nc2ccnc(C#N)n2)c1

MAK-UNK-849bee6c-2
0.330

View
O=C(CCl)N1CCN(Cc2nc(-c3cccs3)no2)CC1

1.000

View
NCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.809

View
O=C(CO)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.792

View
CCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.792

View
O=C(Cc1c(Cl)cccc1Cl)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.784

View
O=C(CCc1nc(-c2cccs2)no1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.776

View
O=C(Cc1cccs1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.776

View
O=C(Cc1c(F)cccc1F)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.765

View
O=C(CCl)N1CCN(CCCc2nc(-c3cccs3)no2)CC1

0.765

View
CCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.760

View
CC(=O)CCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.760

View
O=C(CC(F)(F)F)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.760

View
O=C(CCO)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.760

View
CN(C)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.760

View
O=C(CN1CCCC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.760

View
CNCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.760

View
NCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.760

View
O=C(c1cccs1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.755

View
Cc1cccc(C)c1CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.750

View
C=C(Cl)CCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.750

View
CCC(CC)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.750

View
NC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.750

View
CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.750

View
N#CCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.745

View
O=C(CCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)N1CCOCC1

0.745

View
O=C(CC1CC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.745

View
CCCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.745

View
CC(C)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.745

View
CC(C)(C)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.745

View
COCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.745

View
CSCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.745

View
O=C(CCCc1nc(-c2cccs2)no1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.745

View
O=C(Cc1ccccc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.745

View
NOCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.745

View
Cc1noc(Cl)c1CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.741

View
O=C(CN1CCN(Cc2nc(-c3cccs3)no2)CC1)N1CCCC1

0.740

View
O=C(CN1CCN(Cc2nc(-c3cccs3)no2)CC1)N1CCC1

0.740

View
CC(C)(C)OCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.736

View
O=C(COc1ccccc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.736

View
O=C(Cc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.736

View
O=C(CC1(C(F)(F)F)CC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.736

View
O=C(N1CCC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.735

View
O=C(N1CCCC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.735

View
O=C(C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)N1CCC1

0.735

View
O=C(C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)N1CCCC1

0.735

View
O=C(CCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)c1cccs1

0.731

View
CCCCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
O=C(Cc1ccc(F)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
O=C(CSC(F)F)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
CS(=O)(=O)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
O=C(CCC(F)(F)F)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
O=C(CN1CCOCC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
O=C(CCC(F)F)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
CC(F)(F)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
O=C(COC(F)F)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
CC(=O)NCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
CC(C)CCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
O=C(CCc1cccs1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
CN1CCN(CC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)CC1

0.731

View
CCC(C)(C)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
CC(=O)N1CCN(C(=O)CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CC1

0.731

View
CN1CCN(C(=O)CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CC1

0.731

View
O=C(CN1CCN(Cc2nc(-c3cccs3)no2)CC1)N1CCN(Cc2cccs2)CC1

0.731

View
CCC(=O)N1CCCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
O=C(c1c(Cl)cccc1Cl)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
O=C(CN1CCNCC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
CCNCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
C[C@H](N)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
O=C(O)CCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
O=C(O)COCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
O=C(O)CCCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
NCCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
CC(N)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
C[C@@H](N)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.731

View
O=C(COc1ccc(Cl)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.727

View
O=C(Cc1c(F)cccc1Cl)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.727

View
O=C(N1CCN(Cc2nc(-c3cccs3)no2)CC1)C12CC(F)(C1)C2

0.725

View
O=C(CN1CCN(Cc2nc(-c3cccs3)no2)CC1)N1CCCCCC1

0.725

View
O=C(CN1CCN(Cc2nc(-c3cccs3)no2)CC1)N1CCCCC1

0.725

View
Cc1noc(C)c1CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.722

View
O=C(Cc1coc(-c2cccs2)n1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.722

View
O=C(Cc1ccc(Cl)s1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.722

View
CCCC(CCC)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.722

View
O=C(CC1CC1(Cl)Cl)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.722

View
O=C(Cc1ccccc1Cl)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.722

View
Cc1cc(C)c(CC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c(C)c1

0.722

View
c1csc(-c2noc(CN3CCN(Cc4nc(-c5cccs5)no4)CC3)n2)c1

0.721

View
O=C(C(F)F)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.720

View
O=C(N1CCCCC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.720

View
O=C(O)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.720

View
O=C(N1CCN(Cc2nc(-c3cccs3)no2)CC1)C(F)(F)F

0.720

View
O=C(CCc1ccccc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.717

View
COC(=O)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.717

View
Cc1ccc(CC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1

0.717

View
O=C(Cc1ccncc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.717

View
C#CCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.717

View
C=CCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.717

View
CCSCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.717

View
CC(C)(O)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.717

View
O=C(CC1CCC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.717

View
CC1CCN(Cc2nc(-c3cccs3)no2)CC1

0.170

View
O=C(c1ccc(F)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.170

View
COCC(=O)N1CCN(C(C)c2nc(-c3cccs3)no2)CC1

0.170

View
CC(c1nc(-c2cccs2)no1)N1CCN(CC(=O)N(C)C)CC1

0.169

View
CCCC(=O)NCc1nc(-c2cccs2)no1

0.167

View
CC(C)C(C)N(C)Cc1nc(-c2cccs2)no1

0.167

View
OCCN1CCN(Cc2nc(-c3cc(Br)cs3)no2)CC1

0.167

View
OC(CC1CCCC1)CN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.167

View
O=C(c1ccc(Br)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.167

View
N#Cc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1

0.166

View
NCCNC(=O)c1nc(-c2cccs2)no1

0.164

View
CCCNCc1nc(-c2cccs2)no1.Cl

0.164

View
CC(c1nc(-c2cccs2)no1)N1CCNCC1

0.164

View
CCN1CCN(C(C)c2nc(-c3cccs3)no2)CC1

0.164

View
CC(C)(C)OC(=O)NCCCN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.163

View
NC1CCCN(Cc2nc(-c3cccs3)no2)C1

0.163

View
Cl.NC1CCCN(Cc2nc(-c3cccs3)no2)C1

0.163

View
Cc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1C

0.163

View
O=C(CCCc1cccs1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.163

View
CC(C)C(=O)N(C)Cc1nc(-c2cccs2)no1

0.161

View
CN(Cc1nc(-c2cccs2)no1)C(=O)C(C)(C)C

0.161

View
CCN(Cc1nc(-c2cccs2)no1)C(=O)C(C)(C)C

0.161

View
OC(CN1CCN(Cc2nc(-c3cccs3)no2)CC1)CC(F)(F)F

0.161

View
CCN(Cc1nc(-c2cccs2)no1)C1CC1

0.161

View
O=C1CCN(C2CCN(Cc3nc(-c4cccs4)no3)CC2)CCN1

0.160

View
c1ccc(OCCN2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1

0.160

View
CC(c1nc(-c2cccs2)no1)N1CCNC(=O)C1

0.160

View
O=C(CCc1ccccc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.159

View
CCC(=O)N(Cc1nc(-c2cccs2)no1)C(C)C

0.158

View
Cc1ccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1

0.156

View
O=C(c1ccncc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.155

View
O=C(NCCN1CCOCC1)c1nc(-c2cccs2)no1

0.155

View
c1ccc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1

0.154

View
OC(CN1CCN(Cc2nc(-c3cccs3)no2)CC1)C(F)(F)F

0.154

View
CC(C)(C)NCc1nc(-c2cccs2)no1.Cl

0.152

View
CC(C)NCc1nc(-c2cccs2)no1

0.152

View
C(=C/c1ccccc1)\CN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.152

View
CC(C)(C)NC(=O)CN1CCCN(Cc2nc(-c3cccs3)no2)CC1

0.152

View
Cc1cccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1

0.152

View
Cc1cc(C)cc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1

0.152

View
c1csc(-c2noc(CN3CCOCC3)n2)c1

0.151

View
O=C(c1ccccc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.149

View
c1cnc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)nc1

0.148

View
CC1CCCCN1C(=O)CN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.148

View
CN(CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1nc(-c2cccs2)no1

0.145

View
O=C1CN(C(=O)c2nc(-c3cccs3)no2)CCN1

0.145

View
CC(C)N(Cc1nc(-c2cccs2)no1)CC1CCC(=O)N1

0.145

View
CN(C)CCNC(=O)c1nc(-c2cccs2)no1

0.142

View
CC(=O)N1CCCC1C1CCCN1Cc1nc(-c2cccs2)no1

0.142

View
Cc1ccsc1-c1noc(CN2CCNC(=O)C2)n1

0.142

View
NC(=O)CSCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.141

View
O=C(N1CCCCC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.140

View
CC(=O)NCc1nc(-c2cccs2)no1

0.137

View
O=C(CN1CCN(Cc2nc(-c3cccs3)no2)CC1)N1CCCCCC1

0.137

View
COC(=O)CCN1CCN(Cc2nc(-c3cccs3)no2)C(C)C1

0.137

View
CCNCc1nc(-c2cccs2)no1

0.136

View
CCOCCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.134

View
CCN(CC)CCNC(=O)c1nc(-c2cccs2)no1

0.133

View
O=C(CC1CCC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.127

View
O=C(C1CCC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.123

View
CC=C(CC)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.119

View
N#CCCCN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.119

View
CCC(C(N)=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.118

View
O=CN1CCN(C(=O)c2nc(-c3cccs3)no2)CC1

0.115

View
CCOC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.113

View
CC(C)CCN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.111

View
CC(C)N1CCN(CCCN2CCN(Cc3nc(-c4cccs4)no3)CC2)CC1

0.111

View
CN(CCN1CCOCC1)Cc1nc(-c2cccs2)no1

0.106

View
CCOCCN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.106

View
FC(F)CN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.106

View
O=C(CN1CCN(Cc2nc(-c3cccs3)no2)CC1)NC1CC1

0.105

View
CC(=O)N1CCCN(Cc2nc(-c3cccs3)no2)CC1

0.104

View
C=C(C)CN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.102

View
CC(C(N)=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.101

View
O=C(C1CC1)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.099

View
N#CCN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.098

View
CN(C)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.097

View
CCC(C)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.095

View
[C]C([C])=[C]C(=O)N1[C][C]N([C]c2nc(-c3cccs3)no2)[C][C]1

0.095

View
COCCN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.094

View
CCN(CC)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.092

View
CC(C)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.087

View
CN(CC(=O)N(C)C)Cc1nc(-c2cccs2)no1

0.085

View
CC(C)NC(=O)CN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.084

View
CCCN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.081

View
OCCN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.081

View
C#CCN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.081

View
CC(C)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.077

View
NC(=O)CN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.076

View
CC(C)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.074

View
CC(C)(C)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.074

View
CCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.074

View
CCNC(=O)CN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.071

View
CC(C)NC(=O)CN(C)CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.070

View
c1csc(-c2noc(CN3CCNCC3)n2)c1

0.063

View
CCN1CCN(Cc2nc(-c3cccs3)no2)CC1

0.063

View
Cl.c1csc(-c2noc(CN3CCNCC3)n2)c1

0.063

View
CN1CCN(Cc2nc(-c3cccs3)no2)CC1=O

0.061

View
CCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.057

View
CC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1

0.029

View
N1(CC2ON=C(C3SC=CC=3)N=2)CCN(C(C)=O)CC1

0.963

View
N1(CC2ON=C(C3SC=CC=3)N=2)CCN(C=O)CC1

0.931

View
N(CC1ON=C(C2SC=CC=2)N=1)(C)CC(N1CCN(C)CC1)=O

0.901

View
N1(CC2ON=C(C3SC=CC=3)N=2)CCN(C)C(=O)C1

0.901

View
N1(CC2ON=C(C3SC=CC=3)N=2)CCN(CC)CC1

0.894

View


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