Molecule Details

ABI-SAT-2adc218e-7 View Submission
N#CCF
Molecular Properties
SMILES:
N#CCF
MW: 59.02
Fraction sp3: 0.5
HBA: 1
HBD: 0
Rotatable Bonds: 0
TPSA: 23.79
cLogP: 0.48
Covalent Warhead: ✗
Covalent Fragment: ✗
Source
Enamine BB: BBV-38371599
Mcule: MCULE-7784616816
MolPort: MolPort-001-771-754

CCC(=N)N

AAR-POS-d2a4d1df-17

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N#CCC(F)(F)F

ABI-SAT-3cb25904-3
0.375

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N#CCC(O)(F)F

ABI-SAT-128a7dc3-2
0.333

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N#CCC1C(O)C1F

ABI-SAT-2adc218e-8
0.273

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N#CCC(N)=O

MAK-UNK-4b073b5c-24
0.263

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CC(N)CC#N

ABI-SAT-3cb25904-1
0.263

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

MAK-UNK-95198336-15
0.263

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N#CCS(N)(=O)=O

SAD-SAT-edc8a235-9
0.263

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CC(F)C#N

ABI-SAT-128a7dc3-3
0.250

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CC#N

MAK-UNK-4b073b5c-7
0.250

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N#CCl

MAK-UNK-4b073b5c-9
0.250

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

MAK-UNK-95198336-14
0.227

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N#CC1CC1F

ABI-SAT-3cb25904-6
0.211

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N#CC1C(F)C1CN

ABI-SAT-128a7dc3-5
0.208

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N#CC1C(F)C1CO

ABI-SAT-f7794817-4
0.208

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N#CCC1C=CC=C1

AHN-ATE-25a8153f-1
0.208

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N#CCCn1c(=O)n(CCC#N)c(=O)n(CCC#N)c1=O

MAR-TRE-6c5ef77a-6
0.200

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

ASH-UNK-e28bb067-2
0.182

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N#CC(F)C1CC1

ABI-SAT-128a7dc3-4
0.182

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N#CC1CC1

MAK-UNK-95198336-1
0.176

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N#CC1=C(CO)S1

ABI-SAT-f7794817-2
0.174

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N#CCC(=O)NC1CC1

SAD-SAT-edc8a235-5
0.167

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N#CCC1(O)CCOCC1

MAK-UNK-be3f299e-9
0.167

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N#CC12CC1C2

MAK-UNK-95198336-2
0.167

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N#CCn1ccn(CC#N)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-72
0.167

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CC1C(C)C1C#N

MAK-UNK-9b4e5ff2-2
0.167

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

ABI-SAT-e641dd33-3
0.167

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N#CC1=NCC1F

ABI-SAT-95eab675-3
0.167

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Cc1nc(C)c(CC#N)s1

MAR-TRE-6c5ef77a-97
0.161

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

MAR-TRE-14ce9fd6-99
0.161

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N#CC1C2C1C2C(F)(F)F

ABI-SAT-2adc218e-4
0.160

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

ABI-SAT-e641dd33-2
0.160

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

ABI-SAT-3cb25904-4
0.160

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N#CC1C2CC12

MAK-UNK-9b4e5ff2-3
0.158

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CC(=O)Nc1ccc(NCCC#N)cc1

MAR-TRE-6c5ef77a-62
0.158

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N#CC1CC1O

MAK-UNK-9b4e5ff2-4
0.158

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N#CC1CCC1

MAK-UNK-9b4e5ff2-6
0.158

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N#CC1CC1C(O)(F)F

ABI-SAT-128a7dc3-8
0.154

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

ABI-SAT-ddc50085-3
0.154

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

MAR-TRE-1c920f6f-89
0.152

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N#Cc1nc1=O

MAK-UNK-4b073b5c-6
0.150

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N#CC1CNC1

MAK-UNK-9b4e5ff2-8
0.150

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N#CC1ONO1

MAK-UNK-9b4e5ff2-10
0.150

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N#CC1OCO1

MAK-UNK-9b4e5ff2-11
0.150

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CC1CC1C#N

MAK-UNK-9b4e5ff2-1
0.150

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N#Cc1ncc(F)s1

ABI-SAT-aa268ad7-10
0.148

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N#Cc1ncc(F)cn1

AAR-RCN-ec065b93-1
0.148

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N#CCC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-18
0.147

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Cc1nnc(SCC#N)s1

MAR-TRE-6c5ef77a-78
0.147

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CC(C)c1nc(CC#N)n[nH]1

MAR-TRE-6c5ef77a-52
0.143

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COc1ccc(OCCC#N)cc1

MAR-TRE-6c5ef77a-65
0.143

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N#CCCn1c(=O)n(CCC#N)c2ccccc21

MAR-TRE-a3327163-52
0.143

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N#CCC(=S)n1ccn(C(=S)CC#N)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-49
0.143

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N#CCC(=O)n1ccn(C(=O)CC#N)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-81
0.143

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N#Cc1c(Cl)c1=O

ABI-SAT-f7794817-3
0.143

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Cn1nnnc1SCC#N

MAR-TRE-6c5ef77a-90
0.143

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CC1C(N)C1C#N

ABI-SAT-95eab675-5
0.143

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N#Cc1c[nH]c2ccc(CF)cc12

ABI-SAT-aa268ad7-2
0.143

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N#CC1=NCC1

ABI-SAT-95eab675-4
0.143

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N#CC1CNO1

MAK-UNK-9b4e5ff2-9
0.143

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CC1C(O)C1C#N

ASH-UNK-e28bb067-1
0.143

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CN(C)c1nc(SCC#N)nc(N(C)C)n1

MAR-TRE-6c5ef77a-91
0.143

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N#CCCn1nnc(-c2ccccc2F)n1

MAR-TRE-0fda4e82-45
0.143

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N#CCn1c(=O)oc2ccccc21

MAR-TRE-1c920f6f-23
0.143

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CC(C)[C@@H](C#N)NS(=O)(=O)c1ccc(CF)cc1

VIJ-CYC-1a381570-12
0.140

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

ABI-SAT-37d087dc-1
0.139

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

MAR-TRE-14ce9fd6-98
0.139

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CC1CC(C#N)C1

ABI-SAT-128a7dc3-1
0.136

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

ABI-SAT-e641dd33-1
0.136

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N#CCSCC(=O)Nc1ccc(F)cc1

MAR-TRE-a3327163-54
0.136

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N#Cc1cs[nH]1

ABI-SAT-f7794817-1
0.136

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N#CC1C=NC1

MAK-UNK-9b4e5ff2-7
0.136

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

MAR-TRE-1c920f6f-72
0.135

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

MAR-TRE-0fda4e82-50
0.135

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

MAR-TRE-1c920f6f-80
0.135

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

ABI-SAT-2adc218e-10
0.133

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

MAR-TRE-1c920f6f-71
0.132

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

MAR-TRE-a3327163-19
0.130

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Cn1c(=O)c2ccccc2n(CC#N)c1=O

MAR-TRE-0fda4e82-64
0.130

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N#CCCN(CCC#N)c1nc2c(s1)CCCC2

MAR-TRE-1c920f6f-9
0.130

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N#CCC(C(C#N)C#N)n1ccn(C(CC#N)C(C#N)C#N)c1=[Au+]Cl

MAR-TRE-d3c2bf0e-30
0.128

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COc1ccc(C(=O)NCC#N)cc1

MAR-TRE-0fda4e82-74
0.128

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

YOI-UNK-50175d1a-1
0.128

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CCOc1ccc(C(=O)CC#N)cc1

MAR-TRE-0fda4e82-97
0.128

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N#CCC1C=CC=C1n1os1

YOI-UNK-9f5fb3d8-1
0.128

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N#CCC1C=CC=C1n1os1

YOI-UNK-f445e09d-1
0.128

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COc1ccc(S(=O)(=O)NCC#N)cc1

MAR-TRE-0fda4e82-41
0.128

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Cc1[nH]sc1C#N

ABI-SAT-27442b71-1
0.125

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F[U]C[K]

YES-UNK-ce40b8c9-2
0.125

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N#CCCCn1c(=O)oc2ccccc21

MAR-TRE-0fda4e82-49
0.125

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CC(C)(C)c1cc(CCCC#N)cc(C(C)(C)C)c1O

MAR-TRE-14ce9fd6-74
0.125

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

MAR-TRE-6c5ef77a-34
0.125

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

ABI-SAT-e641dd33-5
0.125

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

ABI-SAT-2adc218e-1
0.125

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Cc1cc(C)nc(SCCCC#N)n1

MAR-TRE-0fda4e82-79
0.125

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N#Cc1ncccn1

AAR-POS-f650c5f2-3
0.125

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N#CCCS(=O)(=O)c1ccc(Cl)c(Cl)c1

MAR-TRE-0fda4e82-55
0.125

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N#CC1CCCC(F)CC1

ABI-SAT-128a7dc3-10
0.125

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COc1ccc(-c2nnn(CC#N)n2)cc1OC

MAR-TRE-a3327163-99
0.122

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N#CCCn1cc(CO)c(-c2ccc(F)cc2)n1

MAR-TRE-a3327163-85
0.122

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Cc1ccc(S(=O)(=O)CCC#N)cc1C

MAR-TRE-14ce9fd6-94
0.122

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Discussion:

Contributor: Abintha, SATEC - Mon, 25 May 2020 16:58:55 +0000