Molecule Details

N#CC1=NCC1F
Check Availability on Manifold
Molecular Properties
SMILES:
N#CC1=NCC1F
MW: 98.03
Fraction sp3: 0.5
HBA: 2
HBD: 0
Rotatable Bonds: 0
TPSA: 36.15
cLogP: 0.3
Covalent Warhead:
Covalent Fragment:

N#CC1CC1F

ABI-SAT-3cb25904-6
0.320

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N#CC1=NNC1O

ABI-SAT-95eab675-2
0.310

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N#CC1=NCC1

ABI-SAT-95eab675-4
0.308

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N#CC1C=NC1

MAK-UNK-9b4e5ff2-7
0.250

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N#CC1=NN=C(C(=O)C(=O)F)C1O

ABI-SAT-897caeb8-6
0.244

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N#Cc1nc1=O

MAK-UNK-4b073b5c-6
0.222

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N#CC1CNC1

MAK-UNK-9b4e5ff2-8
0.222

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N#CC1C(F)C1CO

ABI-SAT-f7794817-4
0.219

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

MAK-UNK-95198336-17
0.212

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N#Cc1ncc(F)s1

ABI-SAT-aa268ad7-10
0.206

View
N#Cc1ncc(F)cn1

AAR-RCN-ec065b93-1
0.206

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N#Cc1cn(C2N=CC(F)=C2F)s1

YOI-UNK-50175d1a-1
0.200

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N#Cc1nc(O)c[nH]1

MAK-UNK-7732b35b-3
0.200

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N#CC(F)C1CC1

ABI-SAT-128a7dc3-4
0.200

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N#CC1CC1

MAK-UNK-95198336-1
0.200

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

YOI-UNK-4c10088f-3
0.196

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N#Cc1ncccn1

AAR-POS-f650c5f2-3
0.194

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N#CC12CC1C2

MAK-UNK-95198336-2
0.192

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N#CCC1C(O)C1F

ABI-SAT-2adc218e-8
0.188

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Cn1cc(C#N)s1

ABI-SAT-95eab675-1
0.188

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N#CC1C2CC12

MAK-UNK-9b4e5ff2-3
0.185

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N#CC1CCC1

MAK-UNK-9b4e5ff2-6
0.185

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N#CC1CC1O

MAK-UNK-9b4e5ff2-4
0.185

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CCOC1CN=C2C(C#N)=CC=CN21

MAR-TRE-a3327163-86
0.182

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N#CC1C(F)C1CN

ABI-SAT-128a7dc3-5
0.182

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CSc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-7
0.179

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COc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-5
0.179

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N#CC1CCCC(F)CC1

ABI-SAT-128a7dc3-10
0.179

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CNc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-9
0.179

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CC1CC1C#N

MAK-UNK-9b4e5ff2-1
0.179

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N#CC1OCO1

MAK-UNK-9b4e5ff2-11
0.179

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N#CC1=NCN(C(=O)CCl)C1

SAD-SAT-6b5a89f0-3
0.178

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N#Cc1nncs1

MAK-UNK-987948f6-14
0.176

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

YOI-UNK-4c10088f-2
0.176

View
N#Cc1ncc[nH]1

AAR-POS-f650c5f2-2
0.176

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Cc1nnc(C#N)s1

ABI-SAT-aa268ad7-11
0.176

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N#CC1CC1C(O)(F)F

ABI-SAT-128a7dc3-8
0.176

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

DRV-UNK-7620afc8-1
0.174

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N#CC1CNO1

MAK-UNK-9b4e5ff2-9
0.172

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N#Cc1c(Cl)c1=O

ABI-SAT-f7794817-3
0.172

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N#Cc1ncc(Br)cn1

AAR-RCN-98de6bc7-1
0.171

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N#Cc1ncc(Cl)cn1

AAR-RCN-934be69e-1
0.171

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N#Cc1ncc(O)cn1

MAK-UNK-ed378e62-4
0.171

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Cc1cnc(C#N)nc1

MAK-UNK-ed378e62-2
0.171

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Cc1cc(C)nc(C#N)n1

AAR-RCN-8752a6eb-1
0.171

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N#Cc1ncc(-c2cncnc2)cn1

MAK-UNK-ed378e62-38
0.171

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

ABI-SAT-128a7dc3-7
0.171

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N#CC(C(F)(F)F)S(=O)(=O)C1CN=CN1

ABI-SAT-e641dd33-4
0.170

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CN(C(=O)CCl)c1cc(N(C)C(=O)CCl)nc(C#N)n1

MAK-UNK-72659d64-14
0.170

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CSc1nc2c(cc1C#N)CCCCC2

MAR-TRE-14ce9fd6-91
0.170

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CC1CC(C#N)C1

ABI-SAT-128a7dc3-1
0.167

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N#Cc1cccnc1

MAK-UNK-ca11b4f7-4
0.167

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N#CCF

ABI-SAT-2adc218e-7
0.167

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

MAK-UNK-95198336-12
0.167

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N#CC1CNC(=O)C1

SAD-SAT-edc8a235-2
0.167

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N#Cc1cs[nH]1

ABI-SAT-f7794817-1
0.167

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Cc1cnc(C#N)[nH]1

MAK-UNK-7732b35b-1
0.167

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CC(Sc1nc2c(cc1C#N)CCCCC2)C(=O)O

MAR-TRE-14ce9fd6-5
0.164

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CC1C(C)N(c2ccc(C#N)nc2)CCN1C

JOH-UNI-522b0723-6
0.164

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CC1OCCN(c2ccc(C#N)nc2)C1C

JOH-UNI-522b0723-2
0.164

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N#Cc1ccc2c(n1)C(C(F)(F)F)N2

ABI-SAT-aa268ad7-6
0.163

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CC(=O)Nn1cnc(=O)c(C#N)c1

MAR-TRE-3724962b-26
0.163

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COc1nc(C#N)c(N(C)C)o1

MAR-TRE-6c5ef77a-98
0.163

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N#Cc1cc(C2CCCCC2)ccn1

ABI-SAT-aa268ad7-7
0.160

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

ABI-SAT-37d087dc-1
0.159

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

MAR-TRE-14ce9fd6-2
0.158

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COc1cnc(C#N)nc1

MAK-UNK-ed378e62-6
0.158

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CNc1cnc(C#N)nc1

MAK-UNK-ed378e62-10
0.158

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CSc1cnc(C#N)nc1

MAK-UNK-ed378e62-8
0.158

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COc1cnc(C#N)nc1

AAR-RCN-9c8a34f0-1
0.158

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N#Cc1nccc(Cl)n1

AAR-RCN-37d0aa00-1
0.158

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

ABI-SAT-2adc218e-10
0.158

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COc1cc(OC)nc(C#N)n1

AAR-RCN-748c104b-1
0.158

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CN(c1cnc(C#N)nc1)c1cccs1

MAK-UNK-ed378e62-36
0.157

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N#Cc1cc2c(nc1SC1CCCCC1O)CCCC2

MAR-TRE-14ce9fd6-46
0.156

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Cc1[nH]sc1C#N

ABI-SAT-27442b71-1
0.156

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N#CC1=C(CO)S1

ABI-SAT-f7794817-2
0.156

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N#CCCS(=O)(=O)c1ccc(N)cc1

MAR-TRE-0fda4e82-50
0.156

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N#CCCS(=O)(=O)c1ccc(Cl)cc1

MAR-TRE-1c920f6f-72
0.156

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N#CCCS(=O)(=O)c1ccc(Br)cc1

MAR-TRE-1c920f6f-80
0.156

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N#Cc1ncc(Cc2cncnc2)cn1

MAK-UNK-ed378e62-39
0.156

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C#CCSc1nc2c(cc1C#N)CCCC2

MAR-TRE-14ce9fd6-96
0.155

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N#Cc1nccc(O)n1

MAK-UNK-ed378e62-3
0.154

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CC(F)C#N

ABI-SAT-128a7dc3-3
0.154

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Cc1ccnc(C#N)n1

MAK-UNK-ed378e62-1
0.154

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N#Cc1cccc(N(CCC2CC2)C(=O)Nc2cccnc2)c1

JOR-UNI-61e7b1d5-9
0.153

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C=CCSc1nc2c(cc1C#N)CCCC2

MAR-TRE-14ce9fd6-79
0.153

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COc1cc(OC)[n+](C)c(C#N)n1

AAR-RCN-390aeb1f-1
0.152

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

MAK-UNK-72659d64-10
0.152

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CN(c1cncnc1)c1cnc(C#N)nc1

MAK-UNK-ed378e62-43
0.152

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COC1CC1C#N

ASH-UNK-e28bb067-6
0.152

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N#CC12CC3CC(CC(C3)C1)C2

MAK-UNK-be3f299e-8
0.152

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CSC1CC1C#N

ASH-UNK-e28bb067-7
0.152

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CNC1CC1C#N

MAK-UNK-9b4e5ff2-5
0.152

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CN(C(=O)CCl)c1ccnc(C#N)n1

MAK-UNK-72659d64-5
0.151

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N#Cc1cc2c(nc1SCC(=O)O)CCCC2

MAR-TRE-14ce9fd6-19
0.150

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

ABI-SAT-e641dd33-5
0.150

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

ABI-SAT-2adc218e-1
0.150

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N#CC1=C(C=S)N=NC1=O

ABI-SAT-897caeb8-1
0.150

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N#Cc1cc2c(nc1SCCC1OCCO1)CCCC2

MAR-TRE-14ce9fd6-14
0.149

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