Molecule Details

MAK-UNK-9b4e5ff2-6 View Submission
N#CC1CCC1
Molecular Properties
SMILES:
N#CC1CCC1
MW: 81.06
Fraction sp3: 0.8
HBA: 1
HBD: 0
Rotatable Bonds: 0
TPSA: 23.79
cLogP: 1.31
Covalent Warhead: ✗
Covalent Fragment: ✔️
Source
Enamine BB: EN300-40035
Enamine SCR: Z406694072
Mcule: MCULE-3335810526
MolPort: MolPort-003-986-710

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

LON-WEI-8f408cad-3

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N#CC1CC1

MAK-UNK-95198336-1
0.714

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N#CC1CCCC(F)CC1

ABI-SAT-128a7dc3-10
0.481

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CC1CCCC(C#N)CC1

ABI-SAT-95eab675-6
0.481

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N#CC1CNC1

MAK-UNK-9b4e5ff2-8
0.421

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N#CC1CCCC(C(F)(F)F)C(O)CC1

ABI-SAT-128a7dc3-9
0.382

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CC1CC(C#N)C1

ABI-SAT-128a7dc3-1
0.381

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

MAK-UNK-6c8f5f75-1
0.303

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N#CC1C2CC12

MAK-UNK-9b4e5ff2-3
0.300

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N#CC1CC1O

MAK-UNK-9b4e5ff2-4
0.300

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N#CC1CNC(=O)C1

SAD-SAT-edc8a235-2
0.286

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CC1CC1C#N

MAK-UNK-9b4e5ff2-1
0.286

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N#CC1OCO1

MAK-UNK-9b4e5ff2-11
0.286

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N#CC1CC1F

ABI-SAT-3cb25904-6
0.286

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CS(=O)(=O)C1CC(C#N)C1

MAK-UNK-95198336-12
0.286

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

MAK-UNK-6c8f5f75-2
0.282

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N#CC1CNO1

MAK-UNK-9b4e5ff2-9
0.273

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C1CC2CCCC2C1

SWA-SWA-8fdb1140-3
0.263

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N#CC1C=NC1

MAK-UNK-9b4e5ff2-7
0.261

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CS(=O)(=O)CC1CCC(C#N)C1

ABI-SAT-3cb25904-2
0.257

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CC1C(C)C1C#N

MAK-UNK-9b4e5ff2-2
0.250

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N#CC(F)C1CC1

ABI-SAT-128a7dc3-4
0.250

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N#CC12CC1C2

MAK-UNK-95198336-2
0.250

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

SAD-SAT-edc8a235-7
0.243

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

MAK-UNK-95198336-9
0.242

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CS(=O)(=O)C1=C(Cl)CC(C#N)C1

ABI-SAT-128a7dc3-7
0.235

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N#CC1CCCC(c2nc3ccccc3s2)C1

JOO-IND-68bcc4bc-1
0.235

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CSC1CC1C#N

ASH-UNK-e28bb067-7
0.231

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COC1CC1C#N

ASH-UNK-e28bb067-6
0.231

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CNC1CC1C#N

MAK-UNK-9b4e5ff2-5
0.231

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N#CCC1C(O)C1F

ABI-SAT-2adc218e-8
0.231

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N#CC1ONO1

MAK-UNK-9b4e5ff2-10
0.227

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N#CC1C(F)C1CN

ABI-SAT-128a7dc3-5
0.222

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Cc1cccc(CN2CCC(C#N)CC2)c1

JOO-PER-74f994a9-1
0.217

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N#CC1=NCC1

ABI-SAT-95eab675-4
0.217

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CC1C(O)C1C#N

ASH-UNK-e28bb067-1
0.217

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CC1C(N)C1C#N

ABI-SAT-95eab675-5
0.217

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CS(=O)(=O)C1CC1C#N

MAK-UNK-95198336-13
0.214

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N#CC1CC1C(O)(F)F

ABI-SAT-128a7dc3-8
0.214

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N#CCC1CCS(=O)(=O)C1

MAR-TRE-14ce9fd6-99
0.212

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N#CC1CCC(O)CC1=O

ABI-SAT-2adc218e-3
0.206

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N#CC1(O)CC2CCC1C2

MAK-UNK-be3f299e-11
0.194

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N#CC1CCCC(C(=O)C(=O)Nc2cnccc2C(N)=O)C1

SAD-SAT-89668ff1-7
0.194

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N#CCl

MAK-UNK-4b073b5c-9
0.188

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N#CC1CC(C(F)(F)F)C1O

ABI-SAT-2adc218e-10
0.188

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CC#N

MAK-UNK-4b073b5c-7
0.188

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N#CC12CC3CC(CC(C3)C1)C2

MAK-UNK-be3f299e-8
0.185

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N#CC1=NCC1F

ABI-SAT-95eab675-3
0.185

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N#CC1CCCN(C(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1

SAD-SAT-89668ff1-6
0.183

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N#CCC(=O)NC1CC1

SAD-SAT-edc8a235-5
0.182

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N#C[C@@H](N)C1CCOCC1

MAK-UNK-be3f299e-3
0.182

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N#CC1C2C1C2C(F)(F)F

ABI-SAT-2adc218e-4
0.179

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CC1C(C#N)C1C(F)(F)F

ABI-SAT-3cb25904-4
0.179

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N#CC1C(F)C1CO

ABI-SAT-f7794817-4
0.179

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N#CCC1C=CC=C1

AHN-ATE-25a8153f-1
0.179

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N#CC(N)C1CCOC1

MAK-UNK-be3f299e-10
0.176

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N#CC(C(F)(F)F)S(=O)(=O)C1CC1

ABI-SAT-e641dd33-5
0.176

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

SAD-SAT-6b5a89f0-5
0.175

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N#CC1C(O)C1C(N)=O

ABI-SAT-2adc218e-9
0.172

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CC1C(C#N)C1S(C)(=O)=O

ABI-SAT-3cb25904-5
0.172

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N#CC1C=CC=CS1

SAD-SAT-edc8a235-4
0.167

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CC1C(C#N)C1C(N)=O

ABI-SAT-2adc218e-5
0.167

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CS(=O)(=O)C1CCC(CF)C(C#N)C1

ABI-SAT-ddc50085-3
0.167

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C#CC1CCCN(S(=O)(=O)C=C)C1

TOB-UNK-c2aba166-6
0.167

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

MAK-UNK-95198336-10
0.162

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C1CCCC2CCCCCCC(CC1)C1CCC2CC1

DYE-UNK-7d027605-2
0.160

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

ASH-UNK-e28bb067-9
0.158

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N#CCF

ABI-SAT-2adc218e-7
0.158

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N#Cc1cc(C2CCCCC2)ccn1

ABI-SAT-aa268ad7-7
0.156

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COC1C(O)C(O)C(O)C(O)C1O

MAR-TRE-ebcc4ad6-27
0.154

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CC1(C)CC(=O)C(CCC#N)C(=O)C1

MAR-TRE-14ce9fd6-98
0.154

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Cc1[nH]sc1C#N

ABI-SAT-27442b71-1
0.148

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CCC(=O)N1COC(C#N)C1

SAD-SAT-6b5a89f0-7
0.146

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

SAD-SAT-6b5a89f0-4
0.146

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

MAK-UNK-6c8f5f75-3
0.146

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Cc1cccc(NC(=O)C(C#N)C(=O)C2CCC2)c1

JOH-UNI-c7afdb96-7
0.145

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N#Cc1ccccc1CNC1(C#CC2CCCC2)CCCCC1

WAR-XCH-b0339bbe-8
0.145

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N#CC1=NNC1O

ABI-SAT-95eab675-2
0.143

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N#CCc1cc(C2CCCCC2)ccn1

ABI-SAT-aa268ad7-8
0.143

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CC(F)C#N

ABI-SAT-128a7dc3-3
0.143

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CSc1nc(N)nc(SC2C=CCCC2)c1C#N

MAR-TRE-f5c2d31c-61
0.143

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N#CC1C=NN=S1C(F)(F)F

ABI-SAT-2adc218e-1
0.143

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CC(=O)N1CCC(C(=O)NCC#N)CC1

MAR-TRE-6c5ef77a-34
0.140

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NC(O)C1CCCC1C(C1C=CC=C1)N1C=CC(O)C=C1

WES-WAB-adc860f2-1
0.137

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

MAK-UNK-f983951f-17
0.135

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CCNC1CCC(C#N)CC1CC(=O)Nc1cccnc1

SAD-SAT-cefd50cc-6
0.134

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CS(=O)(=O)C1=C(C#N)C1

MAK-UNK-95198336-17
0.133

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Cc1nc(SCC(=O)C2CC2)c(C#N)c(C)c1C

MAR-TRE-14ce9fd6-2
0.132

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CN(C(=O)CCl)C1CCCCC1

SAD-SAT-d8079f6f-9
0.132

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N#CCC(F)(F)F

ABI-SAT-3cb25904-3
0.130

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CC(NCc1ccc(C#N)cc1)C1CCOC1

MAK-UNK-be3f299e-6
0.130

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CC1CN(CN2CCCOCC2)CCN1C#N

JOH-UNI-27ac80fd-14
0.130

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CCNc1ncc(C#N)cc1[C@@H]1CCC[C@@H]1C(N)=O

PET-SGC-34dcf0dc-1
0.129

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N#CC1CC(Nc2ccc(S(N)(=O)=O)cc2)CN(C(=O)CCl)C1

SAD-SAT-89668ff1-4
0.127

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C1CCC2CCC(C1)CC(CCC1CC3CCCCC(CC3)C1)C2

BUT-UNK-efbf8c2c-3
0.125

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N#CCS(=O)(=O)C1CN=CN1

ABI-SAT-37d087dc-1
0.125

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N#Cc1cc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2CCCC2O)co1

UNK-CYC-68f84b31-85
0.125

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NCC1CCCC(Cn2ccn(CC3CCCC(CN)C3)c2=[Au+]Cl)C1

MAR-TRE-d3c2bf0e-24
0.125

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N#Cc1nc1=O

MAK-UNK-4b073b5c-6
0.125

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CC(C)(C#CCN1CCCC1)OCCC#N

MAR-TRE-6c5ef77a-88
0.125

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C[C@H]1NCCCC1c1ccnc(CC#N)c1

ABI-SAT-aa268ad7-9
0.123

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Discussion:

Contributor: Maksym Voznyy - Fri, 22 May 2020 16:26:30 +0000