Molecule Details

MAT-POS-162a9720-9 View Submission
CC(C)(O)CNC(=O)CCl
Molecular Properties
SMILES:
CC(C)(O)CNC(=O)CCl
MW: 165.06
Fraction sp3: 0.83
HBA: 2
HBD: 2
Rotatable Bonds: 3
TPSA: 49.33
cLogP: 0.11
Covalent Warhead: ✔️
Covalent Fragment: ✗
Order Status
Shipped: 2021-04-16

O=C(CCl)NC1CC1

MAK-UNK-f983951f-25
0.314

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

SAD-SAT-65574d3f-7
0.302

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CC(NC(=O)CCl)C1CC1

MAK-UNK-f983951f-16
0.300

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CN(C)Cc1ccc(CNC(=O)CCl)cc1

MAK-UNK-f983951f-26
0.298

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

MAK-UNK-f983951f-11
0.283

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N#Cc1ccc(CNC(=O)CCl)cc1

MAK-UNK-f983951f-23
0.277

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O=C(CCl)NC1CCCCC1

SAD-SAT-edc8a235-1
0.268

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

MAR-TRE-6a44bbf2-56
0.260

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.257

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O=C(CCl)NCc1cn(F)nn1

SAD-SAT-1b030f84-2
0.250

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

YOI-UNK-4c10088f-2
0.250

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NS(=O)(=O)c1ccc(CNC(=O)CCl)cc1

MAR-TRE-6a44bbf2-73
0.245

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NS(=O)(=O)c1ccc(CNC(=O)CCl)cc1

SAD-SAT-65574d3f-2
0.245

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O=C(CCl)NC1=CSCC1

SAD-SAT-6b5a89f0-1
0.244

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C[C@H](NC(=O)CNC(=O)CCl)c1ccc(F)cc1

MAR-TRE-6a44bbf2-81
0.241

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CCc1ccccc1NC(=O)CNC(=O)CCl

MAR-TRE-6a44bbf2-97
0.241

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

MAK-UNK-72659d64-12
0.240

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

MAK-UNK-72659d64-2
0.240

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

MAK-UNK-f983951f-20
0.239

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

VIK-SYN-bf9c9ac8-2
0.239

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

MAK-UNK-f983951f-24
0.238

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O=C(CCl)Nc1ccccc1

SAD-SAT-6b5a89f0-8
0.238

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

MAR-TRE-6a44bbf2-88
0.234

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O=C(CCl)Nc1cccnc1

MAK-UNK-ca11b4f7-1
0.234

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

MAR-TRE-6a44bbf2-48
0.234

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

SAD-SAT-65574d3f-4
0.234

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

MAK-UNK-f983951f-17
0.233

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

MAK-UNK-f983951f-1
0.233

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Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CCl)n1

MAR-TRE-6a44bbf2-55
0.232

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CC(NC(=O)CCl)c1cc(O)cc(Cl)c1

DAV-CRI-3edb475e-2
0.231

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CC(NC(=O)CCl)c1cccc(Cl)c1

AAR-POS-0daf6b7e-10
0.231

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

MAK-UNK-72659d64-18
0.231

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O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.229

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

SAD-SAT-1b030f84-9
0.229

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O=C(CCl)Nc1ccsc1

SAD-SAT-6b5a89f0-10
0.227

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

MAK-UNK-704ed37c-12
0.227

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CC(=O)Nc1c(C)ccnc1NC(=O)CCl

RAF-SAT-b3ff87a1-4
0.226

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CC(NC(=O)CCl)c1cc(F)cc(Cl)c1

DAV-CRI-3edb475e-6
0.226

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CC(NC(=O)CCl)c1ccc(O)c(Cl)c1

DAV-CRI-3edb475e-1
0.226

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O=C(CCl)NCC(=O)Nc1ccc(F)c(F)c1

MAR-TRE-6a44bbf2-16
0.226

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

AAR-POS-0daf6b7e-21
0.225

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O=C(CCl)Nc1cccnc1Cl

AAR-POS-0daf6b7e-20
0.224

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Cc1cccc(NCC(=O)NCCCCl)c1

MAK-UNK-af83ef51-13
0.224

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CC(=O)NCc1ccc(S(=O)(=O)NC(=O)CCl)cc1

MAR-TRE-6a44bbf2-5
0.222

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O=C(CCl)N1CSC1

MAK-UNK-95198336-6
0.222

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O=C(CCl)N1COC1

MAK-UNK-95198336-7
0.222

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.220

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CNS(=O)(=O)c1cc(NC(=O)CCl)ccc1C

MAR-TRE-6a44bbf2-93
0.218

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N#Cc1nccc(CNC(=O)CCl)n1

MAK-UNK-72659d64-4
0.218

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O=C(CCl)N1CCO1

MAK-UNK-95198336-5
0.216

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CC(NC(=O)CCl)c1cccc2ccccc12

AAR-POS-d2a4d1df-39
0.214

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O=C(CCl)N1CCSC1

MAK-UNK-4b073b5c-17
0.214

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.214

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

MAK-UNK-f983951f-14
0.213

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

MAK-UNK-f983951f-15
0.213

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CC(=O)NCCc1c[nH]c2c(CNC(=O)CCl)cccc12

DUN-NEW-f8ce3686-21
0.212

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O=C(CCl)N[C@@H](Cc1ccc(O)cc1)C(=O)O

MAR-TRE-e86a56b5-45
0.212

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CC(=O)C(Cc1ccccc1)NC(=O)CCl

MAK-UNK-f983951f-22
0.212

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CC(C)(CNC(=O)c1conc1CCl)C(=O)O

MAR-TRE-a78003aa-32
0.211

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O=C(CCl)NCc1ccc2c(c1)OCO2

AAR-POS-d2a4d1df-31
0.211

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O=C(CCl)N1CNO1

MAK-UNK-95198336-8
0.211

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O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.211

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O=C(CCl)NCc1ccccc1S(=O)(=O)N1CCCCC1

MAR-TRE-6a44bbf2-30
0.210

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O=C(CCl)NCc1ccccc1S(=O)(=O)N1CCCCC1

AHN-SAT-de2502ba-2
0.210

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

MAK-UNK-750cfbcc-2
0.208

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

VIK-SYN-9a3d118a-1
0.208

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

MAK-UNK-72659d64-10
0.208

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CC(=O)NCC(=O)n1ccn(C(=O)CNC(C)=O)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-15
0.208

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

MAR-TRE-6a44bbf2-91
0.207

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N#Cc1ncc(CNC(=O)CCl)c(CNC(=O)CCl)n1

MAK-UNK-72659d64-11
0.207

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Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCl

MAR-TRE-6a44bbf2-23
0.206

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O=C(CCl)N1CSCCO1

SAD-SAT-6b5a89f0-6
0.205

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

SAD-SAT-d8079f6f-1
0.205

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

MAK-UNK-987948f6-5
0.205

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O=C(CCl)NOCc1ccccc1

MAK-UNK-f983951f-13
0.204

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

SAD-SAT-65574d3f-3
0.204

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

MAK-UNK-f983951f-2
0.204

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

MAK-UNK-72659d64-3
0.204

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O=C(CCl)Nc1ccc2c(c1)OCCO2

MAR-TRE-6a44bbf2-74
0.204

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Cc1ccc(NC(=O)CN2CCN(C(=O)CCl)CC2)cc1

MAR-TRE-6a44bbf2-12
0.203

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

GIA-UNK-a79af1bc-1
0.203

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Cc1cc(C)nc(NC2CC3CC2CN3C(=O)CCl)n1

MAK-UNK-ec98eaf6-43
0.203

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O=C(CCl)NCc1ccccc1S(=O)(=O)N1CCOCC1

SAD-SAT-65574d3f-8
0.203

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O=C(CCl)NCc1ccccc1S(=O)(=O)N1CCOCC1

AHN-SAT-de2502ba-12
0.203

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O=C(CCl)NCc1ccccc1S(=O)(=O)N1CCOCC1

MAR-TRE-6a44bbf2-20
0.203

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CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)C2CCN(C(=O)CCl)CC2)cc1

SAD-SAT-29425be4-6
0.203

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CC(C)(NC(=O)c1conc1CCl)C(=O)O

MAR-TRE-a78003aa-59
0.200

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CC(NC(=O)CCl)c1cc(Cl)ccc1O

DAV-CRI-3edb475e-3
0.200

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O=C(CCl)NCc1ccccc1CS(=O)(=O)N1CCOCC1

MAR-TRE-6a44bbf2-34
0.200

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O=C(CCl)NCCc1cnn(-c2ccccc2)c1

MAR-TRE-6a44bbf2-44
0.200

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O=C(CCl)NCc1cnn(-c2ccccc2)c1

MAR-TRE-6a44bbf2-70
0.200

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CN(CC(=O)Nc1ccc(F)cc1)C(=O)CCl

MAR-TRE-6a44bbf2-85
0.200

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

MAK-UNK-72659d64-17
0.200

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CNC(=O)N(C)CCN(C)C(=O)CCl

VIK-SYN-bf9c9ac8-5
0.200

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

MAK-UNK-95198336-11
0.200

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O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.200

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CC(O)(CNC(=O)c1c[nH]c2ncccc12)C(=O)O

MAR-TRE-3159af1a-58
0.200

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O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.200

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O=C(CCl)NCC1(c2ccc3c(c2)OCCO3)CCCC1

MAR-TRE-6a44bbf2-6
0.197

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CC(C)(C)c1ccc(CNC(=O)C2CCN(C(=O)CCl)CC2)s1

SAD-SAT-29425be4-14
0.197

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Discussion:

Contributor: Matthew Robinson, PostEra - Sun, 18 Apr 2021 04:02:48 +0000