Molecule Details

ABI-SAT-128a7dc3-4 View Submission
N#CC(F)C1CC1
Molecular Properties
SMILES:
N#CC(F)C1CC1
MW: 99.05
Fraction sp3: 0.8
HBA: 1
HBD: 0
Rotatable Bonds: 1
TPSA: 23.79
cLogP: 1.26
Covalent Warhead: ✗
Covalent Fragment: ✗
Source
Enamine BB: BBV-94890622

CC(F)C#N

ABI-SAT-128a7dc3-3
0.333

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N#CC1CC1F

ABI-SAT-3cb25904-6
0.292

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N#CC1CC1

MAK-UNK-95198336-1
0.273

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

MAK-UNK-be3f299e-3
0.265

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

ASH-UNK-e28bb067-2
0.259

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N#CC(N)C1CCOC1

MAK-UNK-be3f299e-10
0.257

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

ABI-SAT-e641dd33-5
0.257

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N#CC1CCC1

MAK-UNK-9b4e5ff2-6
0.250

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CC1CC1C#N

MAK-UNK-9b4e5ff2-1
0.240

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N#CC1CCCC(F)CC1

ABI-SAT-128a7dc3-10
0.222

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N#CC12CC1C2

MAK-UNK-95198336-2
0.208

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N[C@@H](C1CC1)N1CCCCCC1

JOH-IMS-0f19a540-5
0.206

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

ABI-SAT-e641dd33-4
0.205

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

ABI-SAT-e641dd33-3
0.200

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N#CC1C2CC12

MAK-UNK-9b4e5ff2-3
0.200

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N#CC1=NCC1F

ABI-SAT-95eab675-3
0.200

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N#CC1CC1O

MAK-UNK-9b4e5ff2-4
0.200

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

ABI-SAT-e641dd33-2
0.194

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N#CC1CNC1

MAK-UNK-9b4e5ff2-8
0.192

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N#CC1OCO1

MAK-UNK-9b4e5ff2-11
0.192

View
N#CC1ONO1

MAK-UNK-9b4e5ff2-10
0.192

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

ABI-SAT-2adc218e-1
0.189

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

MAR-TRE-14ce9fd6-99
0.189

View
N#CC1CC1C(O)(F)F

ABI-SAT-128a7dc3-8
0.188

View
N#CC1CNO1

MAK-UNK-9b4e5ff2-9
0.185

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N#CC1=NCC1

ABI-SAT-95eab675-4
0.185

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N#CCF

ABI-SAT-2adc218e-7
0.182

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

ABI-SAT-e641dd33-1
0.179

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N#CC1C=NC1

MAK-UNK-9b4e5ff2-7
0.179

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CC1CC(C#N)C1

ABI-SAT-128a7dc3-1
0.179

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

ABI-SAT-ddc50085-3
0.178

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N#CC1(O)CC2CCC1C2

MAK-UNK-be3f299e-11
0.171

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

MAR-TRE-d3c2bf0e-35
0.167

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

ABI-SAT-2adc218e-10
0.167

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CC(=O)N1CCC(C(F)C(C#N)c2cccc(F)c2S(N)(=O)=O)CC1

JON-UIO-066ce08b-6
0.167

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N#CCC(=O)NC1CC1

SAD-SAT-edc8a235-5
0.162

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N#CC12CC3CC(CC(C3)C1)C2

MAK-UNK-be3f299e-8
0.161

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N#CCC1C(O)C1F

ABI-SAT-2adc218e-8
0.161

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

YOI-UNK-144e4c15-2
0.161

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CNC1CC1C#N

MAK-UNK-9b4e5ff2-5
0.161

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COC1CC1C#N

ASH-UNK-e28bb067-6
0.161

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CSC1CC1C#N

ASH-UNK-e28bb067-7
0.161

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CC1C(C)C1C#N

MAK-UNK-9b4e5ff2-2
0.160

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N#CC(C1C=CC(F)=C1)C1CCN(C(CO)c2cccc(F)c2)CC1

JON-UIO-066ce08b-12
0.159

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

ABI-SAT-128a7dc3-9
0.159

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CC1CCCC(C#N)CC1

ABI-SAT-95eab675-6
0.158

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N#CC1C(F)C1CO

ABI-SAT-f7794817-4
0.156

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N#CC1C(F)C1CN

ABI-SAT-128a7dc3-5
0.156

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

ABI-SAT-3cb25904-4
0.156

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N#CC1C2C1C2C(F)(F)F

ABI-SAT-2adc218e-4
0.156

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CC(NC(=O)CCl)C1CC1

MAK-UNK-f983951f-16
0.154

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N#CC1CCC(O)CC1=O

ABI-SAT-2adc218e-3
0.154

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N#CCC(F)(F)F

ABI-SAT-3cb25904-3
0.154

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N#CC(c1ccsc1)C1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-22
0.153

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

MAK-UNK-95198336-13
0.152

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CC(C1=CCN(C(=O)CCl)C=C1)C1CNC(S(C)(=O)=O)C(C#N)C1

ABI-SAT-96764fe8-1
0.151

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N#CCl

MAK-UNK-4b073b5c-9
0.150

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CC#N

MAK-UNK-4b073b5c-7
0.150

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Cc1ccncc1NC(=O)C(C#N)CC1CC1

MAT-POS-590ac91e-14
0.150

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

ABI-SAT-128a7dc3-7
0.150

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

MAK-UNK-6c8f5f75-1
0.146

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COc1ccc(C#N)cc1C(=O)N[C@H](C=O)C1CC1

CLI-TLC-bf000c24-1
0.145

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

MAK-UNK-95198336-12
0.143

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N#CC1CNC(=O)C1

SAD-SAT-edc8a235-2
0.143

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CC(N)CC#N

ABI-SAT-3cb25904-1
0.143

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CC1C(O)C1C#N

ASH-UNK-e28bb067-1
0.143

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CC1C(N)C1C#N

ABI-SAT-95eab675-5
0.143

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N#CCC(O)(F)F

ABI-SAT-128a7dc3-2
0.143

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

ABI-SAT-3cb25904-2
0.143

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CC(NCc1ccc(C#N)cc1)C1CCOC1

MAK-UNK-be3f299e-6
0.140

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Cc1cccc(NC(=O)C(C#N)C(=O)C2CC2)c1

JOH-UNI-c7afdb96-8
0.140

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N#CC(N)C(C#N)Nc1cnc(CCl)[nH]1

MAR-TRE-87acfbcc-70
0.140

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

MAR-TRE-14ce9fd6-98
0.140

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

ABI-SAT-37d087dc-1
0.140

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N#CN1CCN(C(F)N2CCCOCC2)CC1

JOH-UNI-27ac80fd-22
0.137

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Cc1c(C#N)nc2ccc3n2c1[C@H](N[C@H](C=O)C1CC1)OC3

CLI-TLC-c9509d6c-1
0.137

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

SAD-SAT-edc8a235-7
0.136

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

JOH-UNI-c7afdb96-7
0.136

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CC1CN(CC(=O)C(C#N)c2ccccc2)CC(C)O1

MAR-TRE-0fda4e82-57
0.136

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CC(C1=CCN(C(=O)CCl)C=C1)C1CNC(S(N)(=O)=O)C(C#N)C1

ABI-UNK-6fa18b51-1
0.135

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N#CCc1cc(C2CCCCC2)ccn1

ABI-SAT-aa268ad7-8
0.132

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

JOH-UNI-c7afdb96-6
0.131

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COc1c[nH]c(C#N)n1

MAK-UNK-7732b35b-5
0.128

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

MAR-TRE-6c5ef77a-34
0.128

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N#CCCCn1c(=O)oc2ccccc21

MAR-TRE-0fda4e82-49
0.127

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

MAK-UNK-95198336-9
0.125

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

MAK-UNK-6c8f5f75-2
0.125

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CCN1CCN(CC(=O)C(C#N)c2ccccc2)CC1

MAR-TRE-0fda4e82-25
0.125

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N#CC1=NNC1O

ABI-SAT-95eab675-2
0.125

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CN1CCN(CC(=O)C(C#N)c2ccccc2)CC1

MAR-TRE-0fda4e82-27
0.123

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N#CC(C(=O)CN1CCOCC1)c1ccccc1

MAR-TRE-0fda4e82-37
0.123

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

MAR-TRE-14ce9fd6-2
0.123

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CCOC(=O)c1c(C)oc(N)c1C#N

MAR-TRE-6c5ef77a-69
0.122

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

ABI-SAT-aa268ad7-6
0.122

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N#CCC1C=CC=C1

AHN-ATE-25a8153f-1
0.121

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C1CC2CCCC2C1

SWA-SWA-8fdb1140-3
0.120

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N#Cc1cc(C2CCCCC2)ccn1

ABI-SAT-aa268ad7-7
0.120

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

MAK-UNK-95198336-10
0.119

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CC12CCC(CC1)C(C)(C)O2

BET-COM-8a5969bb-1
0.118

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Discussion:

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