Molecule Details

MAK-UNK-4b073b5c-20 View Submission
O=C(CCl)N1C=CSC1
Molecular Properties
SMILES:
O=C(CCl)N1C=CSC1
MW: 162.99
Fraction sp3: 0.4
HBA: 2
HBD: 0
Rotatable Bonds: 1
TPSA: 20.31
cLogP: 1.23
Covalent Warhead: ✔️
Covalent Fragment: ✔️

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

LON-WEI-8f408cad-3

View

O=C(CCl)N1CCN(C(=O)N2C=CSC2)CC1

MAK-UNK-52a1ef4b-2
0.511

View
O=C(CCl)N1C=COC1

MAK-UNK-4b073b5c-22
0.400

View
O=C(CCl)N1C=CCC1

MAK-UNK-4b073b5c-15
0.375

View
O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.371

View
O=C(CCl)N1C=CC=NC1

SAD-SAT-edc8a235-8
0.341

View
O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.326

View
O=C(CCl)N1C=NOC1

ASH-UNK-e28bb067-5
0.326

View
O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.324

View
N#CC1C=CN(C(=O)CCl)C1

MAK-UNK-6c8f5f75-3
0.319

View
O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.310

View
O=C(CCl)N1CCCO1

MAK-UNK-4b073b5c-19
0.310

View
O=C(CCl)N1C=CCO1

MAK-UNK-4b073b5c-21
0.310

View
O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.306

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

SAD-SAT-1b030f84-9
0.306

View
O=C(CCl)N1CSCO1

MAK-UNK-4b073b5c-18
0.302

View
O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.297

View
O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.297

View
O=C(CCl)N1C=CCS1(=O)=O

MAK-UNK-6c8f5f75-6
0.295

View
O=C(CCl)N1C=CCC1=O

MAK-UNK-4b073b5c-14
0.295

View
O=C(CCl)N1CCS(=O)(=O)CC1

SAD-SAT-bc31ec01-2
0.286

View
O=C(CCl)N1CCN(C(=O)N2C=COC2)CC1

MAK-UNK-52a1ef4b-3
0.283

View
O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.282

View
O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.282

View
O=C(CCl)N1CCOC1

SAD-SAT-6b5a89f0-2
0.279

View
N#CC1CN(C(=O)CCl)C1

MAK-UNK-95198336-9
0.273

View
O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.268

View
O=C(CCl)N1C[S+]([O-])C1

MAK-UNK-95198336-11
0.268

View
O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.268

View
N#CC1CN(C(=O)CCl)CS1

SAD-SAT-6b5a89f0-5
0.265

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

AAR-POS-0daf6b7e-21
0.262

View
O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.262

View
O=C(CCl)N1c2ccccc2N(C(=O)CCl)c2ccccc21

AAA-OOO-6ef70637-1
0.262

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

MAK-UNK-750cfbcc-1
0.261

View
N#CC1CN(C(=O)CCl)O1

MAK-UNK-95198336-10
0.261

View
NC(=O)C1CCN(C(=O)CCl)CS1

MAK-UNK-704ed37c-17
0.260

View
O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.256

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

MAK-UNK-704ed37c-11
0.256

View
NC1=CN(C(=O)CCl)C(=O)C1

ASH-UNK-e28bb067-8
0.255

View
O=C(CCl)N1CCC(Oc2ccsc2)CC1

MAK-UNK-212f693e-10
0.254

View
CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.250

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

SAD-SAT-bc31ec01-1
0.246

View
N#CC1CCN(C(=O)CCl)C1

SAD-SAT-edc8a235-7
0.245

View
NC(=O)C1CCN(C(=O)CCl)CO1

MAK-UNK-704ed37c-16
0.245

View
O=C(CCl)N1CCCSCC1

SAD-SAT-edc8a235-3
0.245

View
O=C(CCl)N1CCC2(CC1)OCCO2

SAD-SAT-65574d3f-5
0.245

View
O=C(CCl)N1CCC(c2ccc(O)cc2)OC1

NIM-UNI-43fe0159-3
0.241

View
CN(C)c1cc(F)c(N2CCN(C(=O)CCl)CC2)c(F)c1

NIM-UNI-310206f0-6
0.241

View
CC(=O)[C@@H]1CN(C(=O)CCl)C[C@H](CC(N)=O)N1C(C)=O

DAN-PUR-3907f623-2
0.241

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

MAK-UNK-7c9d1431-29
0.241

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

DRR-IMP-db50bf6e-3
0.241

View
N#CC1C=CN(C(=O)CCl)O1

MAK-UNK-6c8f5f75-4
0.240

View
N#CC1CN(C(=O)CCl)CO1

SAD-SAT-6b5a89f0-4
0.240

View
O=C1CN(C(=O)CCl)CN1

SAD-SAT-edc8a235-10
0.239

View
CC1CN(C(=O)CCl)C(C)O1

SAD-SAT-d8079f6f-1
0.239

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

MAK-UNK-987948f6-5
0.239

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

MAK-UNK-6ca90168-16
0.239

View
O=C(CCl)N1CCC(c2ccc(S)cc2)OC1

NIM-UNI-43fe0159-5
0.237

View
Nc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-1
0.237

View
O=C(CCl)N1CS(=O)(=O)CC2CSC=C21

SAD-SAT-1b030f84-7
0.237

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

MAK-UNK-6ca90168-20
0.236

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

SAD-SAT-3a925b8b-5
0.236

View
O=C(CCl)N1CCN(C(=O)n2cccc2)CC1

MAK-UNK-52a1ef4b-1
0.235

View
N#CC1C=CN(C(=O)CCl)S1(=O)=O

MAK-UNK-6c8f5f75-5
0.235

View
O=C(CCl)N1CCC(Oc2ccsc2)CN1

MAK-UNK-212f693e-12
0.234

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

MAK-UNK-704ed37c-12
0.234

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

MAK-UNK-6c8f5f75-1
0.234

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

MAK-UNK-6ca90168-18
0.234

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

MAK-UNK-6ca90168-17
0.234

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

MAK-UNK-3f402c2b-4
0.233

View
O=C(CCl)N1CCC(c2ccc(CO)cc2)OC1

NIM-UNI-43fe0159-4
0.233

View
O=C(CCl)N1CCN(C(=O)c2cscc2Cl)CC1

SAD-SAT-1b030f84-5
0.232

View
O=C(CCl)N1CCC(C(=O)N2CCSC2)CC1

MAK-UNK-704ed37c-4
0.232

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

AAR-POS-0daf6b7e-16
0.232

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

JOH-UNI-27ac80fd-25
0.232

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

SAD-SAT-5b1897b2-10
0.232

View
O=C(CCl)N1CCC(c2ccc(CS)cc2)OC1

NIM-UNI-43fe0159-6
0.230

View
NCc1ccc(C2CCN(C(=O)CCl)CO2)cc1

NIM-UNI-43fe0159-2
0.230

View
O=C(CCl)N1CC2CC1CN2C(=O)c1cccs1

MAK-UNK-3f402c2b-25
0.230

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

MAK-UNK-987948f6-4
0.229

View
N#CC1CN(C(=O)CCl)C1O

ASH-UNK-e28bb067-9
0.229

View
O=C(CCl)N1CCN(C(=O)N2CCCC2)CC1

MAK-UNK-704ed37c-10
0.229

View
O=C(CCl)N1CCN(C(=O)C2CC2)CC1

SAD-SAT-5b1897b2-9
0.229

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

SAD-SAT-1b030f84-8
0.229

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

AAR-POS-0daf6b7e-13
0.228

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

LON-WEI-8f408cad-7
0.228

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

MAK-UNK-212f693e-8
0.228

View
O=C(CCl)N1CCC(C(=O)N2CCCO2)CC1

MAK-UNK-704ed37c-2
0.228

View
O=C(C(=O)N1CSCN(C(=O)CCl)C1)c1cccc(Cl)c1

SAD-SAT-1b030f84-6
0.227

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

MIH-UNI-e573136b-5
0.227

View
O=C(CCl)N1Cc2cc3c(cc2C1)OCO3

JOH-UNI-e19b918c-10
0.226

View
O=C(CCl)NC1=CSCC1

SAD-SAT-6b5a89f0-1
0.224

View
O=C(CCl)NCC(=O)N1CCCC1

SAD-SAT-65574d3f-7
0.224

View
CC(=O)N1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-29
0.224

View
CC1CCCCN1C(=O)CCl

MAK-UNK-f983951f-27
0.224

View
C#CCN1CCN(C(=O)CCl)CC1

TOB-UNK-c2aba166-1
0.224

View
CS1=NC(CC(=O)N2CCN(C(=O)CCl)CC2)C=C1

SAD-SAT-1b030f84-4
0.224

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

LON-WEI-8f408cad-5
0.224

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

DRR-IMP-dff87f5e-3
0.224

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

AAR-POS-d2a4d1df-44
0.224

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

AAR-POS-0daf6b7e-2
0.224

View

Discussion:

Contributor: Maksym Voznyy - Fri, 22 May 2020 06:26:43 +0000