Molecule Details

MAK-UNK-f983951f-24 View Submission
O=C(CCl)NC(=O)NC1CC1
Molecular Properties
SMILES:
O=C(CCl)NC(=O)NC1CC1
MW: 176.04
Fraction sp3: 0.67
HBA: 2
HBD: 2
Rotatable Bonds: 2
TPSA: 58.2
cLogP: 0.21
Covalent Warhead: ✔️
Covalent Fragment: ✔️
Source
Enamine BB: EN300-10480
Enamine SCR: Z57012196
Mcule: MCULE-8500559808
MolPort: MolPort-002-467-175

Filter93_acetyl_urea

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

LON-WEI-8f408cad-3

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O=C(CCl)NC1CC1

MAK-UNK-f983951f-25
0.515

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CC(Cl)C(=O)NC(=O)NC1CC1

MAK-UNK-f983951f-19
0.450

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O=C(CCl)NC1CCCCC1

SAD-SAT-edc8a235-1
0.400

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O=C(CCl)NC(=O)NC12CC3CC(CC(C3)C1)C2

MAK-UNK-f983951f-2
0.370

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CC(NC(=O)NC(=O)CCl)C1CC2CCC1C2

MAK-UNK-f983951f-18
0.327

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N#CCC(=O)NC1CC1

SAD-SAT-edc8a235-5
0.317

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CC(Cl)C(=O)NC1CC1

MAK-UNK-f983951f-9
0.308

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CC(NC(=O)CCl)C1CC1

MAK-UNK-f983951f-16
0.302

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CC/C(=C\C=O)C(NC(=O)NC1CC1)C(=O)NC(C)=O

JAL-FNM-6aee6781-1
0.293

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O=C(CCl)CNC(=O)CC(=O)NC1CCCCC1

GIA-UNK-3f36037a-3
0.283

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

SAD-SAT-65574d3f-7
0.277

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O=C(CCl)Nc1cnc(C2CC2)nc1

YOI-UNK-4c10088f-1
0.275

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

MAR-TRE-6a44bbf2-9
0.274

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O=C(NC(=O)c1ccccc1)NC1CCCCC1

ZAC-WAB-b0242612-1
0.273

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

SAD-SAT-1b030f84-9
0.270

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O=C(CCl)NC(=O)OCc1ccccc1

MAK-UNK-f983951f-5
0.269

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O=C(CCl)NC12CC3CC(CC(C3)C1)C2

MAK-UNK-f983951f-1
0.267

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

AAR-POS-0daf6b7e-5
0.259

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

SAD-SAT-5b1897b2-9
0.255

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.250

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

MAK-UNK-704ed37c-16
0.245

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

MAK-UNK-750cfbcc-2
0.240

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

WAR-XCH-b0339bbe-18
0.240

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N#CC1(NC(=O)CCl)CCC1

MAK-UNK-f983951f-17
0.239

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O=C(CCl)NC1CCOc2ccc(Cl)cc21

IND-SYN-6c8299e8-6
0.238

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CC(C)(O)CNC(=O)CCl

MAT-POS-162a9720-9
0.238

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O=C(CCl)NC1CCOc2ccccc21

MAT-POS-162a9720-6
0.237

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.237

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O=C(CC(=O)N1CCOCC1)NC1CCCCC1

GIA-UNK-3f36037a-1
0.236

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O=C(CCl)NNS(=O)(=O)c1ccccc1

SAD-SAT-65574d3f-3
0.235

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

MAK-UNK-704ed37c-12
0.234

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

MAK-UNK-6ca90168-18
0.234

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

MAK-UNK-6c8f5f75-1
0.234

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

MAK-UNK-750cfbcc-1
0.234

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

AAR-POS-0daf6b7e-21
0.233

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.231

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.231

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NC(=O)C1CCCN(C(=O)CCl)C1

SAD-SAT-65574d3f-6
0.231

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.231

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O=C(CCl)NC1CCCc2ccc(Cl)cc21

IND-SYN-6c8299e8-10
0.230

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

GIA-UNK-a79af1bc-1
0.230

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O=C(NCCc1ccncc1)NC1CCCCC1

AAR-POS-d2a4d1df-12
0.230

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O=C(Cc1cccc(Cl)c1)N[C@H]1CCOC1

PET-UNK-f92d7c0c-5
0.230

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O=C(Nc1cccnc1)NC1CCC(F)CC1

FRA-FAC-9ed5a63a-3
0.230

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O=C(Cc1cccc(Cl)c1)N[C@@H]1CCOC1

PET-UNK-f92d7c0c-4
0.230

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

MAK-UNK-704ed37c-11
0.227

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O=C(CCl)NC1=CSCC1

SAD-SAT-6b5a89f0-1
0.224

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O=C(CCCNC(=O)Nc1ccccc1)NCC(=O)NC1CC1

AAR-UNI-c25c2f1e-45
0.224

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Cc1cc(CN(C)C(=O)NC2CC2)no1

AAR-POS-d2a4d1df-9
0.220

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N#CC1(NC(=O)CCl)CCCCCC1

MAK-UNK-f983951f-15
0.220

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

SAD-SAT-edc8a235-7
0.220

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N#CC1(NC(=O)CCl)CCCCC1

MAK-UNK-f983951f-14
0.220

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COC(=O)C1(NC(=O)CCl)CCCCC1

MAK-UNK-f983951f-20
0.220

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NC(=O)C1CCN(C(=O)CCl)CN1

MAK-UNK-704ed37c-14
0.220

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

VIK-SYN-bf9c9ac8-2
0.220

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.220

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

NIR-THE-0d6461ce-1
0.219

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O=C(CCl)N1CCN(C2CCS(=O)(=O)C2)CC1

SAD-SAT-5b1897b2-6
0.218

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O=C(CCl)Nc1ccccc1

SAD-SAT-6b5a89f0-8
0.217

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

MAK-UNK-95198336-9
0.217

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O=C(Cc1ccccc1)Nc1cccnc1CNC(=O)NC1CC1

SIM-DEM-1d7050d3-1
0.216

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O=C(Nc1cccc(CNC(=O)c2cncnc2)c1)NC1CC1

MAR-TRE-799db12b-51
0.216

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

SAD-SAT-6b5a89f0-5
0.216

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

SAD-SAT-6b5a89f0-4
0.216

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

VIK-SYN-9a3d118a-1
0.216

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O=C(CCl)NCC(=O)C1CCCN1C(=O)C1CCCCC1

GIA-UNK-d2defdc3-8
0.215

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CC(=O)N1CCC(NC(=O)Nc2cnccc2C)CC1

NAU-LAT-3f5f3993-2
0.215

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O=C1CCC(NC(=O)Cc2cccc(Cl)c2)C1

ALP-POS-8b8a49e1-7
0.213

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O=C(CCl)N1CCC(Nc2ccsc2)CC1

MAK-UNK-212f693e-13
0.213

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

MAK-UNK-6ca90168-16
0.213

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

MAK-UNK-987948f6-5
0.213

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

SAD-SAT-d8079f6f-1
0.213

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

MAK-UNK-704ed37c-17
0.212

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O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAR-TRE-6a44bbf2-79
0.212

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O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAK-UNK-750cfbcc-3
0.212

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O=C(CCl)NOCc1ccccc1

MAK-UNK-f983951f-13
0.212

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O=C(Cc1cncnc1)NC1CCNCC1

MAK-UNK-748f8b7a-15
0.211

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

MAK-UNK-95198336-11
0.209

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O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.209

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O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.209

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O=C(CCNC(=O)c1cncnc1)NC1CCS(=O)(=O)C1

MAR-TRE-be9ff7d2-19
0.209

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CN(C(=O)CCl)C1CCCCC1

SAD-SAT-d8079f6f-9
0.208

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O=C(CCl)Nc1ccsc1

SAD-SAT-6b5a89f0-10
0.208

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

MAK-UNK-6ca90168-17
0.208

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O=C(NCCC1OCC(c2cncnc2)C(O)C1O)NC1CCCCC1

MAK-UNK-f2409524-4
0.208

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O=C(CCl)NCC(=O)C1CCCN1C(=O)c1ccccc1

GIA-UNK-d2defdc3-7
0.206

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CC(CNC(=O)NC1CCCCC1)NC(=O)CCNc1cncnc1

MAK-UNK-f2409524-14
0.205

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.205

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

MAK-UNK-704ed37c-10
0.204

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

ASH-UNK-e28bb067-9
0.204

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

SAD-SAT-1b030f84-8
0.204

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

MAK-UNK-987948f6-4
0.204

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N#CC1CCCN(C(=O)CCl)C1

MAK-UNK-6c8f5f75-2
0.204

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O=C(CCl)N1CCC(C(=O)N2CCCCCC2)CC1

MAK-UNK-750cfbcc-5
0.204

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O=C(CCl)N1CCC(C(=O)N2CCCCC2)CC1

VIR-GIT-7b3d3065-2
0.204

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O=C(CCl)N1CCC(C(=O)N2CCCCC2)CC1

AAR-POS-0daf6b7e-9
0.204

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

SAD-SAT-1b030f84-4
0.203

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CN(CN1CCC(O)CC1)CN1CCN(C(=O)CCl)CC1

MAK-UNK-e4a48a85-14
0.203

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

WAR-XCH-79d12f6e-4
0.203

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O=C(NC1CCCC(C2CCCCC2)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-1
0.203

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Discussion:

Contributor: Maksym Voznyy - Fri, 22 May 2020 22:52:10 +0000