Molecule Details

ABI-SAT-128a7dc3-5 View Submission
N#CC1C(F)C1CN
Molecular Properties
SMILES:
N#CC1C(F)C1CN
MW: 114.06
Fraction sp3: 0.8
HBA: 2
HBD: 1
Rotatable Bonds: 1
TPSA: 49.81
cLogP: 0.05
Covalent Warhead: ✗
Covalent Fragment: ✗

N#CC1C(F)C1CO

ABI-SAT-f7794817-4
0.538

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N#CCC1C(O)C1F

ABI-SAT-2adc218e-8
0.300

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CC1C(N)C1C#N

ABI-SAT-95eab675-5
0.296

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CC1C(C)C1C#N

MAK-UNK-9b4e5ff2-2
0.280

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N#CC1C2CC12

MAK-UNK-9b4e5ff2-3
0.269

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N#CC1CC1F

ABI-SAT-3cb25904-6
0.259

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CC1C(O)C1C#N

ASH-UNK-e28bb067-1
0.250

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

ABI-SAT-3cb25904-4
0.250

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N#CC1C2C1C2C(F)(F)F

ABI-SAT-2adc218e-4
0.250

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

ABI-SAT-2adc218e-9
0.242

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N#CC1CC1

MAK-UNK-95198336-1
0.240

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

ABI-SAT-2adc218e-5
0.235

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N#CC1CCC1

MAK-UNK-9b4e5ff2-6
0.222

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N#CC1CNC1

MAK-UNK-9b4e5ff2-8
0.214

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N#CCF

ABI-SAT-2adc218e-7
0.208

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

ABI-SAT-3cb25904-5
0.206

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N#CC1CCCC(F)CC1

ABI-SAT-128a7dc3-10
0.205

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CC1CC(C#N)C1

ABI-SAT-128a7dc3-1
0.200

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

MAK-UNK-95198336-9
0.200

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

ABI-SAT-2adc218e-10
0.184

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N#CC1=NCC1F

ABI-SAT-95eab675-3
0.182

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N#CCC(F)(F)F

ABI-SAT-3cb25904-3
0.179

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N#CC1CC1O

MAK-UNK-9b4e5ff2-4
0.179

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

ABI-SAT-128a7dc3-9
0.174

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CC1CC1C#N

MAK-UNK-9b4e5ff2-1
0.172

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N#CC1OCO1

MAK-UNK-9b4e5ff2-11
0.172

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N#CC1ONO1

MAK-UNK-9b4e5ff2-10
0.172

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N#CC1CC1C(O)(F)F

ABI-SAT-128a7dc3-8
0.171

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N#CCC(N)=O

MAK-UNK-4b073b5c-24
0.167

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CC(N)CC#N

ABI-SAT-3cb25904-1
0.167

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N#CC1CNO1

MAK-UNK-9b4e5ff2-9
0.167

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

ABI-SAT-128a7dc3-7
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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N#CCS(N)(=O)=O

SAD-SAT-edc8a235-9
0.167

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N#CCC(O)(F)F

ABI-SAT-128a7dc3-2
0.167

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

MAK-UNK-6c8f5f75-1
0.163

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N#CC1CNC(=O)C1

SAD-SAT-edc8a235-2
0.162

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

MAK-UNK-95198336-12
0.162

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N#CC1C=NC1

MAK-UNK-9b4e5ff2-7
0.161

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

ABI-SAT-3cb25904-2
0.159

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

ASH-UNK-e28bb067-2
0.156

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N#CC(F)C1CC1

ABI-SAT-128a7dc3-4
0.156

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

SAD-SAT-edc8a235-7
0.152

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N#CCC(=O)NC1CC1

SAD-SAT-edc8a235-5
0.150

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

MAK-UNK-6c8f5f75-3
0.149

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CC(F)C#N

ABI-SAT-128a7dc3-3
0.148

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CNC1CC1C#N

MAK-UNK-9b4e5ff2-5
0.147

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COC1CC1C#N

ASH-UNK-e28bb067-6
0.147

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CSC1CC1C#N

ASH-UNK-e28bb067-7
0.147

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

ABI-SAT-2adc218e-1
0.146

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CC1CCCC(C#N)CC1

ABI-SAT-95eab675-6
0.146

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

ABI-SAT-e641dd33-2
0.143

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N#CCC1C=CC=C1

AHN-ATE-25a8153f-1
0.143

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N#CC12CC1C2

MAK-UNK-95198336-2
0.143

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

MAK-UNK-6c8f5f75-2
0.140

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

MAK-UNK-95198336-13
0.139

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

MAK-UNK-95198336-10
0.136

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N#CC1C=CC=CS1

SAD-SAT-edc8a235-4
0.135

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N#Cc1ncc(F)s1

ABI-SAT-aa268ad7-10
0.135

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

MAR-TRE-6c5ef77a-52
0.133

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

ASH-UNK-e28bb067-9
0.133

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CC#N

MAK-UNK-4b073b5c-7
0.130

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N#CCl

MAK-UNK-4b073b5c-9
0.130

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

SAD-SAT-89668ff1-4
0.130

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

MAK-UNK-95198336-15
0.129

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CCOC(=O)c1csc(CC#N)n1

MAR-TRE-6c5ef77a-87
0.127

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N#CC1C=CN(C(=O)CCl)O1

MAK-UNK-6c8f5f75-4
0.125

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

ABI-SAT-e641dd33-1
0.125

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

SAD-SAT-6b5a89f0-4
0.125

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Cc1cccc(CN2CCC(C#N)CC2)c1

JOO-PER-74f994a9-1
0.125

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NC1C(=O)C1CO

ABI-SAT-2adc218e-6
0.125

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

SAD-SAT-6b5a89f0-7
0.125

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

SAD-SAT-6b5a89f0-5
0.125

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N#CC1C=CN(C(=O)CCl)S1(=O)=O

MAK-UNK-6c8f5f75-5
0.122

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

MAR-TRE-d3c2bf0e-72
0.122

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

MAK-UNK-be3f299e-3
0.122

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N#CCC1(O)CCOCC1

MAK-UNK-be3f299e-9
0.122

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CN(C(=O)CCl)c1cncnc1C(C#N)C1C(F)C1F

YOI-UNK-144e4c15-3
0.121

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

YOI-UNK-4c10088f-3
0.120

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

MAR-TRE-14ce9fd6-74
0.120

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Cc1nc(C)c(CC#N)s1

MAR-TRE-6c5ef77a-97
0.119

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N#CC(N)C1CCOC1

MAK-UNK-be3f299e-10
0.119

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

ABI-SAT-e641dd33-5
0.119

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

MAR-TRE-14ce9fd6-99
0.119

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CSc1nc(N)nc(SCC(=O)C(C)(C)C)c1C#N

MAR-TRE-6c5ef77a-7
0.119

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N#Cc1ncc(Cc2ccsc2)cn1

MAK-UNK-ed378e62-29
0.118

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

MAK-UNK-95198336-14
0.118

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

MAR-TRE-6c5ef77a-76
0.118

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N#CC1=C(CO)S1

ABI-SAT-f7794817-2
0.118

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N#CC1CCC(O)CC1=O

ABI-SAT-2adc218e-3
0.116

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

ABI-SAT-aa268ad7-6
0.115

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

MAR-TRE-a3327163-37
0.115

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F[U]C[K]

YES-UNK-ce40b8c9-2
0.115

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N#CCCNCC1COc2ccccc2O1

MAR-TRE-a3327163-81
0.115

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N#Cc1ccc(C(Cc2ccccc2)C(N)=O)cn1

MAK-UNK-9955b1f3-12
0.115

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N#CC12CC3CC(CC(C3)C1)C2

MAK-UNK-be3f299e-8
0.114

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

ABI-SAT-e641dd33-3
0.114

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N#CC1=NNC1O

ABI-SAT-95eab675-2
0.114

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

MAR-TRE-1c920f6f-89
0.114

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N#CN1CCN(Cc2ccc(Br)s2)CC1

JOH-UNI-27ac80fd-27
0.113

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Discussion:

Contributor: Abintha, SATEC - Mon, 25 May 2020 19:58:12 +0000