Molecular Properties | |
SMILES: | CC1CCCC(C#N)CC1 |
MW: | 137.12 |
Fraction sp3: | 0.89 |
HBA: | 1 |
HBD: | 0 |
Rotatable Bonds: | 0 |
TPSA: | 23.79 |
cLogP: | 2.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-3442482 |
Mcule: | MCULE-8718575822 |
MolPort: | MolPort-026-621-414 |
MAK-UNK-9b4e5ff2-6
0.481
ABI-SAT-128a7dc3-10
0.421
MAK-UNK-95198336-1
0.407
ABI-SAT-128a7dc3-9
0.356
ABI-SAT-128a7dc3-1
0.344
MAK-UNK-9b4e5ff2-8
0.242
MAK-UNK-9b4e5ff2-1
0.242
MAK-UNK-6c8f5f75-1
0.239
ABI-SAT-3cb25904-2
0.234
MAK-UNK-6c8f5f75-2
0.231
MAK-UNK-95198336-12
0.220
MAK-UNK-9b4e5ff2-2
0.219
ASH-UNK-e28bb067-7
0.211
___-UNK-d93d40ad-1
0.205
SAD-SAT-edc8a235-7
0.200
ABI-SAT-95eab675-5
0.200
ASH-UNK-e28bb067-1
0.200
MAK-UNK-95198336-9
0.196
ABI-SAT-128a7dc3-7
0.191
SAD-SAT-edc8a235-2
0.190
JOO-PER-74f994a9-1
0.186
JOO-IND-68bcc4bc-1
0.185
ASH-UNK-e28bb067-6
0.179
MAK-UNK-9b4e5ff2-5
0.179
MAK-UNK-0cb6a3ad-5
0.178
MAK-UNK-9b4e5ff2-4
0.176
MAK-UNK-9b4e5ff2-3
0.176
ABI-SAT-3cb25904-4
0.175
MAR-TRE-14ce9fd6-99
0.174
SAD-SAT-d8079f6f-4
0.174
ABI-SAT-3cb25904-6
0.171
MAK-UNK-9b4e5ff2-11
0.171
ABI-SAT-3cb25904-5
0.171
MAK-UNK-95198336-13
0.171
ABI-SAT-2adc218e-5
0.167
MAK-UNK-9b4e5ff2-9
0.167
MAK-UNK-c7aa8293-17
0.167
ABI-SAT-ddc50085-3
0.167
MAK-UNK-9b4e5ff2-7
0.162
MAK-UNK-acefcb18-10
0.160
MAK-UNK-0cb6a3ad-4
0.159
SAD-SAT-89668ff1-7
0.158
ABI-SAT-128a7dc3-4
0.158
TIM-UNK-7a1fe160-1
0.152
SWA-SWA-8fdb1140-3
0.152
SAD-SAT-6b5a89f0-5
0.151
MAR-TRE-1c920f6f-76
0.151
ABI-SAT-2adc218e-8
0.150
MAK-UNK-0cb6a3ad-7
0.149
SAD-SAT-89668ff1-6
0.149
MAK-UNK-f983951f-8
0.148
MAK-UNK-95198336-2
0.147
MAR-TRE-f5c2d31c-61
0.147
ABI-SAT-128a7dc3-5
0.146
MAK-UNK-0cb6a3ad-9
0.146
ABI-SAT-2adc218e-3
0.146
AAR-POS-fca48359-17
0.146
RAF-POL-950dada1-1
0.145
MAR-TRE-6a44bbf2-66
0.145
MAK-UNK-750cfbcc-4
0.145
ANT-OPE-3ffdc102-1
0.143
MAR-TRE-0fda4e82-2
0.143
ABI-SAT-128a7dc3-8
0.143
MAR-TRE-1c920f6f-10
0.141
MAK-UNK-95198336-10
0.140
SAD-SAT-d8079f6f-9
0.140
SAD-SAT-cefd50cc-6
0.139
MAK-UNK-9b4e5ff2-10
0.139
MAK-UNK-4b073b5c-7
0.138
ASH-UNK-e28bb067-9
0.137
JOH-UNI-27ac80fd-14
0.136
ABI-SAT-95eab675-4
0.135
MAR-TRE-14ce9fd6-98
0.135
MAK-UNK-f983951f-27
0.135
JOH-UNI-27ac80fd-13
0.134
MAR-TRE-0fda4e82-51
0.133
WAR-XCH-b0339bbe-8
0.133
MAK-UNK-be3f299e-11
0.133
MAR-TRE-0fda4e82-57
0.132
JOH-UNI-c7afdb96-7
0.132
MAK-UNK-0cb6a3ad-6
0.132
MAK-UNK-f983951f-14
0.132
MAK-UNK-f983951f-15
0.132
MAK-UNK-acefcb18-12
0.132
WAR-XCH-b0339bbe-11
0.132
WAR-XCH-bdd24732-10
0.131
ABI-SAT-2adc218e-10
0.130
ABI-SAT-aa268ad7-9
0.130
MAK-UNK-6c8f5f75-3
0.130
SAD-SAT-6b5a89f0-4
0.130
SAD-SAT-6b5a89f0-7
0.130
MAR-TRE-a3327163-19
0.129
WAR-XCH-b0339bbe-10
0.128
MAR-TRE-ebcc4ad6-27
0.128
JON-UIO-cc955e79-3
0.128
MAK-UNK-be3f299e-3
0.128
SAD-SAT-edc8a235-5
0.128
WAR-XCH-79d12f6e-14
0.127
TOB-UNK-c2aba166-6
0.125
MAR-TRE-6c5ef77a-34
0.125