Molecule Details

ABI-SAT-128a7dc3-10 View Submission
N#CC1CCCC(F)CC1
Molecular Properties
SMILES:
N#CC1CCCC(F)CC1
MW: 141.1
Fraction sp3: 0.88
HBA: 1
HBD: 0
Rotatable Bonds: 0
TPSA: 23.79
cLogP: 2.43
Covalent Warhead: ✗
Covalent Fragment: ✗

N#CC1CCC1

MAK-UNK-9b4e5ff2-6
0.481

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CC1CCCC(C#N)CC1

ABI-SAT-95eab675-6
0.421

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

ABI-SAT-128a7dc3-9
0.419

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N#CC1CC1

MAK-UNK-95198336-1
0.407

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N#CC1CNC1

MAK-UNK-9b4e5ff2-8
0.281

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N#CC1CC1F

ABI-SAT-3cb25904-6
0.242

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CC1CC(C#N)C1

ABI-SAT-128a7dc3-1
0.229

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N#CC(F)C1CC1

ABI-SAT-128a7dc3-4
0.222

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

MAK-UNK-6c8f5f75-1
0.213

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N#CCC1C(O)C1F

ABI-SAT-2adc218e-8
0.211

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

ABI-SAT-3cb25904-2
0.208

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

MAK-UNK-6c8f5f75-2
0.208

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N#CC1C(F)C1CN

ABI-SAT-128a7dc3-5
0.205

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N#CC1CCCC(c2nc3ccccc3s2)C1

JOO-IND-68bcc4bc-1
0.203

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N#CC1CC1C(O)(F)F

ABI-SAT-128a7dc3-8
0.200

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

ABI-SAT-e641dd33-5
0.200

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N#CC1CNC(=O)C1

SAD-SAT-edc8a235-2
0.190

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

MAK-UNK-95198336-12
0.190

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Cc1cccc(CN2CCC(C#N)CC2)c1

JOO-PER-74f994a9-1
0.186

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

ABI-SAT-2adc218e-10
0.182

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N#CC1=NCC1F

ABI-SAT-95eab675-3
0.179

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

MAK-UNK-be3f299e-3
0.178

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N#CC1CC1O

MAK-UNK-9b4e5ff2-4
0.176

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

SAD-SAT-edc8a235-7
0.176

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N#CC1C2CC12

MAK-UNK-9b4e5ff2-3
0.176

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N#CC1C2C1C2C(F)(F)F

ABI-SAT-2adc218e-4
0.175

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

ABI-SAT-3cb25904-4
0.175

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N#CC1C(F)C1CO

ABI-SAT-f7794817-4
0.175

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N#CC(N)C1CCOC1

MAK-UNK-be3f299e-10
0.174

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N#CN1CCN(C(F)(F)N2CCCOCC2)CC1

JOH-UNI-27ac80fd-16
0.172

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CC1CC1C#N

MAK-UNK-9b4e5ff2-1
0.171

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N#CC1OCO1

MAK-UNK-9b4e5ff2-11
0.171

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

MAK-UNK-95198336-9
0.170

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

ABI-SAT-e641dd33-4
0.167

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N#CC1CCCN(C(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1

SAD-SAT-89668ff1-6
0.164

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N#CC1C=NC1

MAK-UNK-9b4e5ff2-7
0.162

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N#CC1CCCC(C(=O)C(=O)Nc2cnccc2C(N)=O)C1

SAD-SAT-89668ff1-7
0.158

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CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CC(F)CC1C#N

UNK-CYC-68f84b31-82
0.154

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N#CN1CCN(C(F)N2CCCOCC2)CC1

JOH-UNI-27ac80fd-22
0.153

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C1CC2CCCC2C1

SWA-SWA-8fdb1140-3
0.152

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CC(F)C#N

ABI-SAT-128a7dc3-3
0.152

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

SAD-SAT-6b5a89f0-5
0.151

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N#CN1CCN(C2(N3CCCOCC3)CCO2)CC1

JOH-UNI-27ac80fd-18
0.150

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

ABI-SAT-e641dd33-3
0.150

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CSC1CC1C#N

ASH-UNK-e28bb067-7
0.150

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COC1CC1C#N

ASH-UNK-e28bb067-6
0.150

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CNC1CC1C#N

MAK-UNK-9b4e5ff2-5
0.150

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Cc1cccc(NC(=O)C(C#N)C(=O)C2CCC2)c1

JOH-UNI-c7afdb96-7
0.149

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

ABI-SAT-2adc218e-1
0.149

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

MAR-TRE-14ce9fd6-99
0.149

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N#CC12CC1C2

MAK-UNK-95198336-2
0.147

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CC1C(C)C1C#N

MAK-UNK-9b4e5ff2-2
0.147

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

ABI-SAT-e641dd33-2
0.146

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N#CC1CCC(O)CC1=O

ABI-SAT-2adc218e-3
0.146

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

ABI-SAT-ddc50085-3
0.145

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N#Cc1cc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2CCCC2O)co1

UNK-CYC-68f84b31-85
0.145

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

MAK-UNK-95198336-13
0.143

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N#CCC(F)(F)F

ABI-SAT-3cb25904-3
0.143

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Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CC(F)CC1C#N

UNK-CYC-68f84b31-5
0.141

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OCC(O)N1CCN(S(O)(O)C2CCCC(F)C2)CC1

MAX-MCD-98db36d7-1
0.141

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N#CC1ONO1

MAK-UNK-9b4e5ff2-10
0.139

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

MAR-TRE-14ce9fd6-2
0.138

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N#CN1CCN(CN2CCCOCC2)CC1

JOH-UNI-27ac80fd-12
0.138

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CC1CN(CN2CCCOCC2)CCN1C#N

JOH-UNI-27ac80fd-14
0.136

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CC1C(O)C1C#N

ASH-UNK-e28bb067-1
0.135

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CC1C(N)C1C#N

ABI-SAT-95eab675-5
0.135

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N#CCC(O)(F)F

ABI-SAT-128a7dc3-2
0.135

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N#CC1=NCC1

ABI-SAT-95eab675-4
0.135

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CC1CN(C#N)CCN1CN1CCCOCC1

JOH-UNI-27ac80fd-13
0.134

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N#Cc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2CCCC2O)[nH]1

UNK-CYC-68f84b31-86
0.134

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N#CN1CCN(C2(N3CCCOCC3)CC2)CC1

JOH-UNI-27ac80fd-15
0.133

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N#CC1(O)CC2CCC1C2

MAK-UNK-be3f299e-11
0.133

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N#CN1CCN(C(=O)N2CCCOCC2)CC1

JOH-UNI-27ac80fd-17
0.133

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N#CC1CC(F)CN1C(=O)[C@@H]1CCO[C@H]1c1ccccc1

UNK-CYC-68f84b31-2
0.132

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O=C(CCl)N1CCN(S(=O)(=O)C2CCCC2F)CC1

KAT-UNK-c8a6cb16-1
0.131

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N#CC1CC(F)CN1C(=O)c1cccc(-n2nccc2C(F)(F)F)c1

UNK-CYC-68f84b31-19
0.131

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CSc1nc(N)nc(SC2C=CCCC2)c1C#N

MAR-TRE-f5c2d31c-61
0.130

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N#Cc1ccc(N2CCCOCC2)c(C(F)(F)F)n1

JOH-UNI-9dc98897-10
0.130

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N#Cc1ccc(N2CCCOCC2)c(C(F)F)n1

JOH-UNI-9dc98897-5
0.130

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CCC(C#N)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CC(C)C1CCCO1

UNK-CYC-68f84b31-89
0.129

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N#Cc1ncc(N2CCCOCC2)cc1C(F)F

JOH-UNI-9dc98897-4
0.129

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Cc1cccc(NC(=O)C(C#N)C(=O)C2CCCC2)c1

JOH-UNI-c7afdb96-6
0.129

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

JOH-UNI-9dc98897-7
0.129

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

ASH-UNK-e28bb067-2
0.128

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N#CCC(=O)NC1CC1

SAD-SAT-edc8a235-5
0.128

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CC(C)(C#N)N1CCOCC1

MAK-UNK-be3f299e-7
0.128

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N#Cc1ncc(N2CCCOCC2)cc1C(F)(F)F

JOH-UNI-9dc98897-2
0.127

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CC(C)COc1cn(-c2ccccc2)nc1C(=O)N1CC(F)CC1C#N

UNK-CYC-68f84b31-57
0.125

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C#CC1CCCN(S(=O)(=O)C=C)C1

TOB-UNK-c2aba166-6
0.125

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N#CCF

ABI-SAT-2adc218e-7
0.125

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

YOI-UNK-4c10088f-3
0.125

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CCNC1CCC(C#N)CC1CC(=O)Nc1cccnc1

SAD-SAT-cefd50cc-6
0.125

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N#Cc1cc2c(nc1SC1CCCCC1O)CCCC2

MAR-TRE-14ce9fd6-46
0.123

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N#CC(c1ncncc1NC(=O)CCl)C1CC1F

YOI-UNK-144e4c15-2
0.123

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N#CC1CN(S(=O)(=O)N2Cc3ccc(Cl)cc3[C@](F)(C(=O)Nc3cncc4cc(F)ccc34)C2)C1

PET-UNK-6da3dcd8-17
0.123

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N#CC12CC3CC(CC(C3)C1)C2

MAK-UNK-be3f299e-8
0.122

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CC1CC(CNC(=O)CN2CCCC(F)C2)NO1

ALE-WAB-91866d3a-1
0.122

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O=C(Nc1cccnc1)NC1CCC(F)CC1

FRA-FAC-9ed5a63a-3
0.121

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Discussion:

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