Molecule Details

MAK-UNK-f983951f-25 View Submission
O=C(CCl)NC1CC1
Molecular Properties
SMILES:
O=C(CCl)NC1CC1
MW: 133.03
Fraction sp3: 0.8
HBA: 1
HBD: 1
Rotatable Bonds: 2
TPSA: 29.1
cLogP: 0.5
Covalent Warhead: ✔️
Covalent Fragment: ✔️
Source
Enamine BB: EN300-01637
Enamine SCR: Z56867231
Mcule: MCULE-3538029068
MolPort: MolPort-000-141-652

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

LON-WEI-8f408cad-3

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O=C(CCl)NC1CCCCC1

SAD-SAT-edc8a235-1
0.667

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O=C(CCl)NC(=O)NC1CC1

MAK-UNK-f983951f-24
0.515

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N#CCC(=O)NC1CC1

SAD-SAT-edc8a235-5
0.455

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CC(NC(=O)CCl)C1CC1

MAK-UNK-f983951f-16
0.389

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CC(Cl)C(=O)NC1CC1

MAK-UNK-f983951f-9
0.364

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

GIA-UNK-3f36037a-3
0.348

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

MAT-POS-162a9720-9
0.314

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

MAK-UNK-f983951f-1
0.308

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

MAK-UNK-f983951f-19
0.300

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O=C(CCl)NC1CCOc2ccccc21

MAT-POS-162a9720-6
0.288

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

SAD-SAT-65574d3f-7
0.286

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O=C(CCl)Nc1cnc(C2CC2)nc1

YOI-UNK-4c10088f-1
0.283

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

MAR-TRE-6a44bbf2-9
0.281

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O=C(CCl)NC1CCCc2ccc(Cl)cc21

IND-SYN-6c8299e8-10
0.278

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

MAK-UNK-f983951f-17
0.275

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

WAR-XCH-b0339bbe-18
0.273

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

MAK-UNK-f983951f-2
0.267

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

AAR-UNI-c25c2f1e-45
0.267

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

GIA-UNK-3f36037a-1
0.265

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

AAR-POS-0daf6b7e-5
0.264

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O=C(CCl)NC1CCOc2ccc(Cl)cc21

IND-SYN-6c8299e8-6
0.263

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O=C(Cc1cncnc1)NC1CCNCC1

MAK-UNK-748f8b7a-15
0.260

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

ALP-POS-8b8a49e1-7
0.259

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.256

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O=C(CCl)NC1=CSCC1

SAD-SAT-6b5a89f0-1
0.256

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

PET-UNK-f92d7c0c-5
0.255

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

JAL-FNM-6aee6781-1
0.255

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

PET-UNK-f92d7c0c-4
0.255

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

MAK-UNK-f983951f-15
0.250

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O=C(CCl)Nc1ccccc1

SAD-SAT-6b5a89f0-8
0.250

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

MAK-UNK-f983951f-14
0.250

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

MAK-UNK-f983951f-20
0.250

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

MAK-UNK-750cfbcc-2
0.244

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.242

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

SAD-SAT-1b030f84-9
0.242

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O=C(Cc1cccc(Cl)c1)N[C@@H]1CCCOC1

PET-UNK-f92d7c0c-1
0.241

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O=C(Cc1cccc(Cl)c1)N[C@H]1CCCOC1

PET-UNK-f92d7c0c-6
0.241

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

MAK-UNK-f983951f-18
0.241

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

SAD-SAT-65574d3f-3
0.239

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

MAK-UNK-750cfbcc-1
0.238

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

MAK-UNK-6c8f5f75-1
0.238

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O=C(CCl)Nc1ccsc1

SAD-SAT-6b5a89f0-10
0.238

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CN(C(=O)CCl)C1CCCCC1

SAD-SAT-d8079f6f-9
0.238

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.235

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.235

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.235

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N#Cc1nc(NC(=O)CCl)c(NC(=O)CCl)c(NC(=O)CCl)n1

MAK-UNK-72659d64-17
0.234

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O=C1CC(NC(=O)Cc2cccc(Cl)c2)CCN1

ALP-POS-8b8a49e1-8
0.233

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

SAD-SAT-5b1897b2-9
0.233

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

GIA-UNK-a79af1bc-1
0.232

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O=C(CN(C(=O)Nc1ccccc1)c1cccnc1)NC1CC1

SIM-SYN-a98e6a07-2
0.231

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.229

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O=C1CC(NC(=O)Cc2cccc(Cl)c2)CN1

ALP-POS-90e38439-3
0.228

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O=C1CC(NC(=O)Cc2cccc(Cl)c2)CN1

MIC-UNK-42806bd5-2
0.228

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O=C1CC(NC(=O)Cc2cccc(Cl)c2)CN1

ALP-POS-8b8a49e1-5
0.228

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CC1CCCCN1C(=O)CCl

MAK-UNK-f983951f-27
0.227

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N#Cc1ccc(-c2ccncc2)nc1SCC(=O)NC1CC1

MAR-TRE-fd17a9b8-23
0.224

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.222

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

SAD-SAT-edc8a235-7
0.222

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

MAK-UNK-704ed37c-14
0.222

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

MAK-UNK-704ed37c-16
0.222

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CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CCl

MAR-TRE-6a44bbf2-11
0.222

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

AAR-POS-d2a4d1df-9
0.222

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.222

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

NIR-THE-0d6461ce-1
0.220

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CC(NC(=O)CCl)C1=CC(Cl)=CC2CCCC12

DAV-CRI-eab5efcb-2
0.220

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CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-56
0.220

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O=NN(CCCl)C(=O)NC1C(O)CCCC1O

MAR-UCB-195bc32d-1
0.220

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

SAD-SAT-5b1897b2-6
0.220

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

MAK-UNK-95198336-9
0.220

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Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NC3CC3)c3cccnc32)cc1

MAR-TRE-74c6519b-75
0.219

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N#Cc1cccnc1SCC(=O)NC1CCCCC1

MAR-TRE-14ce9fd6-1
0.219

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O=C(Cc1cncnc1)NC1CCCNC1

MAK-UNK-748f8b7a-7
0.218

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O=C(CCl)NNC(=O)c1cc2c(s1)CCCC2

AAR-POS-d2a4d1df-26
0.218

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CS(=O)(=O)NC1CCC(NC(=O)c2cncnc2)CC1

MAR-TRE-c317dd82-88
0.218

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

MAR-TRE-6a44bbf2-48
0.217

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

SAD-SAT-65574d3f-4
0.217

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O=C(CCl)Nc1cccnc1

MAK-UNK-ca11b4f7-1
0.217

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

SAD-SAT-6b5a89f0-4
0.217

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N#Cc1nc(NC(=O)CCl)cc(NC(=O)CCl)n1

MAK-UNK-72659d64-10
0.217

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COc1cc(NC(=O)CCl)cc(OC)c1OC

MAR-TRE-6a44bbf2-88
0.217

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

GIA-UNK-d2defdc3-8
0.217

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COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NC3CC3)C(=O)[C@@H]1C2

MAR-TRE-e86a56b5-14
0.216

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O=C(CCl)Nc1cc2c(cc1Br)OCCO2

MAR-TRE-6a44bbf2-51
0.216

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O=C(CSc1nc2ccccc2n1CCc1ccccc1)NC1CC1

AAR-UNI-c25c2f1e-68
0.214

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O=C(CCl)N1CCC(Nc2ccsc2)CC1

MAK-UNK-212f693e-13
0.214

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

SAD-SAT-d8079f6f-1
0.214

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

MAK-UNK-987948f6-5
0.214

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O=C(CCl)NC[C@@H]1COc2ccccc2O1

MAR-TRE-6a44bbf2-91
0.214

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O=C(CC1(CC(=O)NC2CC2)C(=O)Nc2ccccc21)Nc1cccc(Cl)c1

MIC-UNK-10ba69b4-1
0.213

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CC(NC(=O)CCl)C1=CC(Cl)=CC2N=CCC12

DAV-CRI-eab5efcb-7
0.213

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Cc1cc(CNC(=O)CCl)cc(C)c1O

MAK-UNK-f983951f-11
0.213

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

MAK-UNK-750cfbcc-3
0.213

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N#Cc1ncc(NC(=O)CCl)cn1

MAK-UNK-72659d64-3
0.213

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NC(=O)C1CCN(C(=O)CCl)OC1

MAK-UNK-704ed37c-15
0.213

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O=C(CCl)NOCc1ccccc1

MAK-UNK-f983951f-13
0.213

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

MAR-TRE-6a44bbf2-79
0.213

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

MAK-UNK-704ed37c-17
0.213

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CNC(=O)N1C=C(CO)C(NCC(=O)NC2CCCC2)=CC1

JON-UNI-2a110085-6
0.212

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N#CC1=NC=CC1CNC(=O)CCl

YOI-UNK-4c10088f-2
0.212

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Discussion:

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