Molecule Details

Cc1[nH]sc1C#N
Check Availability on Manifold
Molecular Properties
SMILES:
Cc1[nH]sc1C#N
MW: 112.01
Fraction sp3: 0.25
HBA: 2
HBD: 1
Rotatable Bonds: 0
TPSA: 39.58
cLogP: 1.26
Covalent Warhead:
Covalent Fragment:

N#Cc1cs[nH]1

ABI-SAT-f7794817-1
0.308

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Cc1nnc(C#N)s1

ABI-SAT-aa268ad7-11
0.258

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Cc1cnc(C#N)[nH]1

MAK-UNK-7732b35b-1
0.242

View
Cn1cc(C#N)s1

ABI-SAT-95eab675-1
0.233

View
Cc1ccnc(C#N)n1

MAK-UNK-ed378e62-1
0.222

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

MAK-UNK-95198336-17
0.219

View
CSc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-7
0.216

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Cc1cc(C)nc(C#N)n1

AAR-RCN-8752a6eb-1
0.212

View
Cc1cnc(C#N)nc1

MAK-UNK-ed378e62-2
0.212

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CC#N

MAK-UNK-4b073b5c-7
0.200

View
N#CC1=C(CO)S1

ABI-SAT-f7794817-2
0.200

View
N#CC1=NNC1O

ABI-SAT-95eab675-2
0.194

View
N#Cc1nc1=O

MAK-UNK-4b073b5c-6
0.185

View
Cc1nc(C)c(CC#N)s1

MAR-TRE-6c5ef77a-97
0.184

View
COc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-5
0.184

View
CNc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-9
0.184

View
N#Cc1ncc[nH]1

AAR-POS-f650c5f2-2
0.182

View
N#Cc1nncs1

MAK-UNK-987948f6-14
0.182

View
N#CC1=NCC1

ABI-SAT-95eab675-4
0.179

View
N#Cc1c(Cl)c1=O

ABI-SAT-f7794817-3
0.179

View
CS(=O)(=O)CC#N

MAK-UNK-95198336-15
0.179

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Cc1ncc(Cc2cnc(C#N)[nH]2)[nH]1

MAK-UNK-7732b35b-11
0.178

View
CN(c1nccnc1C#N)S(C)(=O)=O

DRV-UNK-7620afc8-1
0.178

View
Cc1ccc(C#N)cc1NS(C)(=O)=O

IND-SYN-2c708b29-5
0.178

View
Cc1ccc(C#N)cc1NS(C)(=O)=O

IND-SYN-aa221fbf-1
0.178

View
N#Cc1ncc(F)s1

ABI-SAT-aa268ad7-10
0.176

View
CN(c1cnc(C#N)[nH]1)c1cccs1

MAK-UNK-7732b35b-32
0.176

View
N#Cc1ncc(-c2cccs2)[nH]1

MAK-UNK-7732b35b-14
0.174

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CN(c1ccsc1)c1cnc(C#N)[nH]1

MAK-UNK-7732b35b-33
0.173

View
Cc1cccc(CN2CCC(C#N)CC2)c1

JOO-PER-74f994a9-1
0.173

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

ABI-SAT-e641dd33-1
0.172

View
N#Cc1nc(O)c[nH]1

MAK-UNK-7732b35b-3
0.171

View
CNc1ccnc(C#N)n1

MAK-UNK-ed378e62-9
0.171

View
Cc1nnc(SCC#N)s1

MAR-TRE-6c5ef77a-78
0.171

View
Cc1cc(C)[n+](C)c(C#N)n1

AAR-RCN-9f0de475-1
0.171

View
CCOC(=O)c1sc(C)c(C#N)c1N

MAR-TRE-0fda4e82-66
0.170

View
COc1ccnc(C#N)n1

MAK-UNK-ed378e62-5
0.167

View
CSc1ccnc(C#N)n1

MAK-UNK-ed378e62-7
0.167

View
CNc1cnc(C#N)nc1

MAK-UNK-ed378e62-10
0.162

View
N#Cc1nccc(Cl)n1

AAR-RCN-37d0aa00-1
0.162

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COc1cc(OC)nc(C#N)n1

AAR-RCN-748c104b-1
0.162

View
COc1cnc(C#N)nc1

AAR-RCN-9c8a34f0-1
0.162

View
COc1cnc(C#N)nc1

MAK-UNK-ed378e62-6
0.162

View
CSc1cnc(C#N)nc1

MAK-UNK-ed378e62-8
0.162

View
N#Cc1ncccn1

AAR-POS-f650c5f2-3
0.161

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CS(=O)(=O)CCC#N

MAK-UNK-95198336-14
0.161

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N#CC1CC1

MAK-UNK-95198336-1
0.160

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CC(F)C#N

ABI-SAT-128a7dc3-3
0.160

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CC(=O)C(=O)c1cpc(C#N)[nH]1

ABI-SAT-897caeb8-2
0.159

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N#Cc1nccc(O)n1

MAK-UNK-ed378e62-3
0.158

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N#Cc1ncc(Oc2cccs2)[nH]1

MAK-UNK-7732b35b-20
0.157

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Cc1nnc(SCc2ccc(C#N)cc2)[nH]1

MAR-TRE-14ce9fd6-52
0.157

View
Cc1nnc(SCc2ccc(C#N)cc2)s1

MAR-TRE-14ce9fd6-55
0.157

View
CS(=O)(=O)C(C#N)C(F)(F)F

ABI-SAT-e641dd33-3
0.156

View
N#CC1=NCC1F

ABI-SAT-95eab675-3
0.156

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CN(c1cncnc1)c1cnc(C#N)nc1

MAK-UNK-ed378e62-43
0.156

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CC(=O)CC(=O)c1nnc(C#N)s1

ABI-SAT-897caeb8-4
0.156

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CC1C(C)C1C#N

MAK-UNK-9b4e5ff2-2
0.154

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CCOC(=O)CSc1nc(CC)c(C#N)c(=O)[nH]1

MAR-TRE-6c5ef77a-10
0.153

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N#CCC1C=CC=C1n1os1

YOI-UNK-f445e09d-1
0.152

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CC(=O)Nc1cc(C#N)ccc1C

IND-SYN-2c708b29-4
0.152

View
N#CCC1C=CC=C1n1os1

YOI-UNK-9f5fb3d8-1
0.152

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COC(=O)COc1nc(C)cc(C)c1C#N

MAR-TRE-a3327163-60
0.151

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N#Cc1nccc(Oc2cccs2)n1

MAK-UNK-ed378e62-20
0.151

View
N#Cc1cn(C2C=C(F)C=N2)s1

YOI-UNK-4c10088f-3
0.149

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CN(C(=O)CCl)c1cnc(C#N)nc1

MAK-UNK-72659d64-7
0.149

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CN(c1ccsc1)c1ccnc(C#N)n1

MAK-UNK-ed378e62-25
0.148

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Cc1ccc2[nH]c(SCC#N)nc2c1

MAR-TRE-1c920f6f-52
0.148

View
CN(c1ccnc(C#N)n1)c1cccs1

MAK-UNK-ed378e62-22
0.148

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COC(=O)CSc1nc(C)c(C)c(C)c1C#N

MAR-TRE-0fda4e82-19
0.148

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N#CC1CCC1

MAK-UNK-9b4e5ff2-6
0.148

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

MAK-UNK-95198336-13
0.147

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

ABI-SAT-3cb25904-5
0.147

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

ABI-SAT-128a7dc3-7
0.146

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N#Cc1ncc(-c2cncnc2)cn1

MAK-UNK-ed378e62-38
0.146

View
N#Cc1nccn1-c1ccsc1

MAK-UNK-7732b35b-17
0.146

View
N#Cc1ncc(-c2ccsc2)[nH]1

MAK-UNK-7732b35b-18
0.146

View
CS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)n1

ABI-SAT-ddc50085-4
0.146

View
Cc1ccc(C#N)c(SCC(=O)O)n1

MAR-TRE-a3327163-24
0.146

View
CCOC(=O)c1c(N)c(C#N)cn1C

MAR-TRE-6c5ef77a-76
0.146

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Cc1sc(NC(=O)CCCC(=O)O)c(C#N)c1C

MAR-TRE-14ce9fd6-56
0.145

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COC(=O)CSc1nsc(SCC(=O)OC)c1C#N

MAR-TRE-a3327163-7
0.145

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CSc1nc2c(cc1C#N)C(=O)CCC2

MAR-TRE-1c920f6f-85
0.145

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CC1=CC=C(n2os2)C1C(C)(C#N)C1CNCCN1

YOI-UNK-f445e09d-2
0.145

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CC1=CC=C(n2os2)C1C(C)(C#N)C1CNCCN1

YOI-UNK-9f5fb3d8-2
0.145

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CSc1nc(C)c(C(C)=O)cc1C#N

MAR-TRE-6c5ef77a-89
0.143

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CC1CC1C#N

MAK-UNK-9b4e5ff2-1
0.143

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N#CC1ONO1

MAK-UNK-9b4e5ff2-10
0.143

View
N#Cc1ncc(F)cn1

AAR-RCN-ec065b93-1
0.143

View
Cc1sc2nc(SCC#N)[nH]c(=O)c2c1C

MAR-TRE-1c920f6f-33
0.143

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CCOC(=O)COc1nc2c(cc1C#N)CCC2

MAR-TRE-1c920f6f-68
0.143

View
N#Cc1nccc(-c2ccsc2)n1

MAK-UNK-ed378e62-18
0.143

View
N#Cc1ncc(Oc2cccs2)cn1

MAK-UNK-ed378e62-30
0.143

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

MAK-UNK-72659d64-12
0.143

View
N#Cc1ncc(Br)cn1

AAR-RCN-98de6bc7-1
0.143

View
N#Cc1ncc(Cl)cn1

AAR-RCN-934be69e-1
0.143

View
CCOC(=O)c1c(C)oc(N)c1C#N

MAR-TRE-6c5ef77a-69
0.143

View
CN(c1cnc(C#N)nc1)c1ccsc1

MAK-UNK-ed378e62-37
0.143

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Cc1ccc(C#N)c(SCC(N)=O)n1

MAR-TRE-a3327163-37
0.143

View
N#CC1CNC1

MAK-UNK-9b4e5ff2-8
0.143

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