Molecule Details

ABI-SAT-aa268ad7-10 View Submission
N#Cc1ncc(F)s1
Molecular Properties
SMILES:
N#Cc1ncc(F)s1
MW: 127.98
Fraction sp3: 0.0
HBA: 3
HBD: 0
Rotatable Bonds: 0
TPSA: 36.68
cLogP: 1.15
Covalent Warhead: ✗
Covalent Fragment: ✗
Source
Enamine BB: EN300-1653000
Mcule: MCULE-5279320323

N#Cc1ncc(F)cn1

AAR-RCN-ec065b93-1
0.375

View
CNc1cnc(C#N)nc1

MAK-UNK-ed378e62-10
0.306

View
CSc1cnc(C#N)nc1

MAK-UNK-ed378e62-8
0.306

View
N#Cc1nncs1

MAK-UNK-987948f6-14
0.303

View
Cc1nnc(C#N)s1

ABI-SAT-aa268ad7-11
0.303

View
N#Cc1ncc(Cl)cn1

AAR-RCN-934be69e-1
0.294

View
N#Cc1ncc(Br)cn1

AAR-RCN-98de6bc7-1
0.294

View
Cc1cnc(C#N)nc1

MAK-UNK-ed378e62-2
0.294

View
N#Cc1ncc(O)cn1

MAK-UNK-ed378e62-4
0.294

View
N#Cc1ncccn1

AAR-POS-f650c5f2-3
0.290

View
N#Cc1ncc(-c2cncnc2)cn1

MAK-UNK-ed378e62-38
0.275

View
COc1cnc(C#N)nc1

MAK-UNK-ed378e62-6
0.270

View
COc1cnc(C#N)nc1

AAR-RCN-9c8a34f0-1
0.270

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

MAK-UNK-7732b35b-7
0.256

View
N#Cc1ncc(Oc2cncnc2)cn1

MAK-UNK-ed378e62-40
0.256

View
N#Cc1ncc(Nc2ccsc2)cn1

MAK-UNK-ed378e62-35
0.255

View
N#Cc1ncc(Nc2cccs2)cn1

MAK-UNK-ed378e62-34
0.255

View
N#Cc1ncc(-c2ccsc2)cn1

MAK-UNK-ed378e62-27
0.250

View
Cc1cnc(C#N)[nH]1

MAK-UNK-7732b35b-1
0.250

View
N#Cc1ncc(-c2cccs2)cn1

MAK-UNK-ed378e62-26
0.250

View
N#Cc1ncc(Nc2cncnc2)cn1

MAK-UNK-ed378e62-42
0.250

View
N#Cc1ncc(Nc2cccs2)[nH]1

MAK-UNK-7732b35b-24
0.245

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

MAK-UNK-72659d64-3
0.239

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

MAK-UNK-72659d64-7
0.234

View
N#Cc1ncc(Sc2ccsc2)cn1

MAK-UNK-ed378e62-33
0.234

View
Cc1ccnc(C#N)n1

MAK-UNK-ed378e62-1
0.231

View
N#Cc1ncc(Oc2ccsc2)cn1

MAK-UNK-ed378e62-31
0.229

View
N#Cc1ncc(Cc2ccsc2)cn1

MAK-UNK-ed378e62-29
0.229

View
N#Cc1ncc[nH]1

AAR-POS-f650c5f2-2
0.229

View
CCNc1ccc(C#N)cn1

AAR-POS-d2a4d1df-5
0.227

View
N#Cc1ncc(Sc2cncnc2)cn1

MAK-UNK-ed378e62-41
0.227

View
N#Cc1cs[nH]1

ABI-SAT-f7794817-1
0.226

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

MAK-UNK-7732b35b-9
0.225

View
N#Cc1ncc(Oc2cccs2)cn1

MAK-UNK-ed378e62-30
0.224

View
N#Cc1ncc(Sc2cccs2)cn1

MAK-UNK-ed378e62-32
0.224

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

MAK-UNK-ed378e62-37
0.224

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

MAK-UNK-72659d64-2
0.224

View
N#Cc1ncc(Cc2cccs2)cn1

MAK-UNK-ed378e62-28
0.224

View
N#Cc1ncc(Cc2cncnc2)cn1

MAK-UNK-ed378e62-39
0.222

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CC1(C)OB(c2cnc(C#N)nc2)OC1(C)C

AAR-RCN-67438d21-1
0.217

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

ABI-SAT-897caeb8-4
0.217

View
CN(c1cncnc1)c1cnc(C#N)nc1

MAK-UNK-ed378e62-43
0.217

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

MAK-UNK-7732b35b-3
0.216

View
N#Cc1cccnc1

MAK-UNK-ca11b4f7-4
0.216

View
N#Cc1ncc(Sc2ccsc2)[nH]1

MAK-UNK-7732b35b-29
0.216

View
CN(c1cnc(C#N)nc1)c1cccs1

MAK-UNK-ed378e62-36
0.216

View
N#Cc1ncc(Nc2ccsc2)[nH]1

MAK-UNK-7732b35b-25
0.216

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

YOI-UNK-50175d1a-1
0.213

View
N#Cc1ncc(Sc2cccs2)[nH]1

MAK-UNK-7732b35b-28
0.212

View
CNc1ccnc(C#N)n1

MAK-UNK-ed378e62-9
0.209

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

MAK-UNK-7732b35b-14
0.208

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

YOI-UNK-4c10088f-3
0.208

View
N#CC1=NCC1F

ABI-SAT-95eab675-3
0.206

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Cn1cc(C#N)s1

ABI-SAT-95eab675-1
0.206

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N#Cc1nccc(Cl)n1

AAR-RCN-37d0aa00-1
0.205

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CSc1ccnc(C#N)n1

MAK-UNK-ed378e62-7
0.205

View
N#Cc1nccn1-c1ccsc1

MAK-UNK-7732b35b-17
0.204

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N#Cc1ncc(-c2ccsc2)[nH]1

MAK-UNK-7732b35b-18
0.204

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N#Cc1ccc(C(NC(=O)CN)C(N)=O)cn1

MAK-UNK-9955b1f3-11
0.204

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N#Cc1nccc(Nc2cccs2)n1

MAK-UNK-ed378e62-21
0.204

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CCNc1ncc(C#N)cc1Cc1nnc(C)s1

PET-SGC-f147f0b6-1
0.203

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N#Cc1nccc(O)n1

MAK-UNK-ed378e62-3
0.200

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N#Cc1nc1=O

MAK-UNK-4b073b5c-6
0.200

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Cc1cc2c(=O)n(C)c(SCC#N)nc2s1

MAR-TRE-0fda4e82-35
0.200

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N#Cc1ncc(-c2cnc[nH]2)[nH]1

MAK-UNK-7732b35b-13
0.196

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COc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-5
0.195

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N#CC1=NCC1

ABI-SAT-95eab675-4
0.194

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

MAK-UNK-72659d64-11
0.193

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CN(Cc1cnc(C#N)nc1)C(=O)CCl

MAK-UNK-72659d64-6
0.192

View
N#Cc1ncc(Oc2ccsc2)[nH]1

MAK-UNK-7732b35b-21
0.192

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O=c1cn1

MAK-UNK-4b073b5c-1
0.192

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Cc1cnc(NC(=O)CSc2ncccc2C#N)s1

MAR-TRE-6c5ef77a-20
0.191

View
N#Cc1ccc(NC(=O)Nc2cccnc2)s1

DAR-DIA-842b4336-5
0.190

View
Cc1cc(C)nc(C#N)n1

AAR-RCN-8752a6eb-1
0.189

View
N#Cc1ncc(Oc2cccs2)[nH]1

MAK-UNK-7732b35b-20
0.189

View
N#Cc1cnc(SCC(=O)Nc2ccccc2F)nc1N

MAR-TRE-a3327163-46
0.188

View
N#CC1C=NC1

MAK-UNK-9b4e5ff2-7
0.188

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

MAK-UNK-7732b35b-11
0.188

View
Cc1sc2ncn(CCC#N)c(=O)c2c1C

MAR-TRE-1c920f6f-35
0.186

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

MAK-UNK-7732b35b-32
0.185

View
CC(C(N)=O)c1ccc(C#N)nc1

MAK-UNK-9955b1f3-10
0.184

View
N#Cc1ncc(N2CCCOCC2)cc1F

JOH-UNI-9dc98897-1
0.183

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CN(Cc1cnc(C#N)nc1CN(C)C(=O)CCl)C(=O)CCl

MAK-UNK-72659d64-15
0.183

View
N#Cc1cc(F)c(N2CCCOCC2)cn1

JOH-UNI-9dc98897-3
0.183

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

MAK-UNK-7732b35b-33
0.182

View
N#Cc1cccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c1

GAB-FAC-0d239413-1
0.182

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CS(=O)(=O)NCc1cc(C#N)cnc1N

MAR-UNI-9d4da90d-2
0.182

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

MAK-UNK-72659d64-4
0.182

View
N#Cc1nccc(Nc2ccsc2)n1

MAK-UNK-ed378e62-24
0.182

View
N#Cc1ncc(NC(=O)CCl)c(NC(=O)CCl)n1

MAK-UNK-72659d64-9
0.182

View
N#Cc1cccnc1SCC(=O)Nc1ccc(F)cc1

MAR-TRE-6c5ef77a-66
0.182

View
N#Cc1cccnc1NCc1cccnc1

MAR-TRE-0fda4e82-32
0.182

View
N#Cc1ccc(CC(=O)Nc2cccnc2)s1

DAR-DIA-842b4336-14
0.180

View
N#Cc1nccn1-c1cccs1

MAK-UNK-7732b35b-15
0.180

View
C/C=C(\N)Cc1ccc(C#N)nc1

MAK-UNK-9955b1f3-17
0.180

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

MAK-UNK-7732b35b-12
0.180

View
N#Cc1cnc2ncnn2c1N

MAR-TRE-6c5ef77a-95
0.180

View
N#Cc1cc(O)nc2[nH]ccc12

MAR-TRE-3159af1a-83
0.180

View
N#Cc1cnc(SCC(=O)Nc2nccs2)nc1N

MAR-TRE-6c5ef77a-22
0.179

View
Cc1cc2c(SCC#N)ncnc2s1

MAR-TRE-1c920f6f-63
0.179

View

Discussion:

Contributor: Abintha, SATEC - Thu, 28 May 2020 15:07:08 +0000