Molecule Details
| Molecular Properties | |
| SMILES: | CC1C(C)C1C#N |
| MW: | 95.07 |
| Fraction sp3: | 0.83 |
| HBA: | 1 |
| HBD: | 0 |
| Rotatable Bonds: | 0 |
| TPSA: | 23.79 |
| cLogP: | 1.41 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✔️ |
| Source | |
| Enamine BB: | BBV-94890592 |
LON-WEI-8f408cad-3
ASH-UNK-e28bb067-1
0.588
ABI-SAT-95eab675-5
0.588
ABI-SAT-3cb25904-4
0.455
ABI-SAT-3cb25904-5
0.435
ABI-SAT-2adc218e-5
0.417
MAK-UNK-9b4e5ff2-3
0.389
MAK-UNK-9b4e5ff2-1
0.368
ABI-SAT-128a7dc3-1
0.333
MAK-UNK-9b4e5ff2-10
0.300
MAK-UNK-4b073b5c-7
0.286
ABI-SAT-128a7dc3-5
0.280
ABI-SAT-2adc218e-4
0.280
ABI-SAT-f7794817-4
0.280
MAK-UNK-95198336-1
0.278
ABI-SAT-2adc218e-9
0.269
MAK-UNK-9b4e5ff2-4
0.250
MAK-UNK-9b4e5ff2-6
0.250
ASH-UNK-e28bb067-7
0.240
MAK-UNK-9b4e5ff2-5
0.240
ASH-UNK-e28bb067-6
0.240
MAK-UNK-9b4e5ff2-11
0.238
MAK-UNK-9b4e5ff2-8
0.238
ABI-SAT-3cb25904-6
0.238
MAK-UNK-9b4e5ff2-9
0.227
MAK-UNK-95198336-13
0.222
ABI-SAT-95eab675-6
0.219
MAK-UNK-9b4e5ff2-7
0.217
ABI-SAT-128a7dc3-3
0.211
MAK-UNK-95198336-12
0.207
MAK-UNK-95198336-2
0.200
MAK-UNK-4b073b5c-9
0.200
ABI-SAT-128a7dc3-8
0.179
MAK-UNK-95198336-15
0.174
ABI-SAT-3cb25904-1
0.174
SAD-SAT-edc8a235-4
0.172
ABI-SAT-128a7dc3-7
0.171
ABI-SAT-ddc50085-3
0.171
ABI-SAT-e641dd33-1
0.167
ABI-SAT-2adc218e-7
0.167
SAD-SAT-edc8a235-2
0.167
ABI-SAT-3cb25904-2
0.162
ABI-SAT-128a7dc3-4
0.160
ABI-SAT-2adc218e-10
0.156
AAR-RCN-9c8a34f0-1
0.156
MAK-UNK-ed378e62-6
0.156
ABI-SAT-f7794817-2
0.154
MAK-UNK-95198336-14
0.154
ABI-SAT-27442b71-1
0.154
MAK-UNK-6c8f5f75-3
0.150
SAD-SAT-6b5a89f0-7
0.150
ABI-SAT-95eab675-1
0.148
MAK-UNK-be3f299e-8
0.148
ABI-SAT-95eab675-2
0.148
ABI-SAT-95eab675-3
0.148
ABI-SAT-2adc218e-8
0.148
ABI-SAT-e641dd33-3
0.148
ABI-SAT-128a7dc3-10
0.147
MAR-TRE-6c5ef77a-97
0.147
ABI-SAT-2adc218e-1
0.147
ABI-SAT-2adc218e-3
0.143
AHN-ATE-25a8153f-1
0.143
MAK-UNK-95198336-9
0.143
MAK-UNK-95198336-17
0.138
AAR-POS-f650c5f2-2
0.138
ABI-SAT-aa268ad7-11
0.138
ABI-SAT-3cb25904-3
0.136
MAK-UNK-95198336-10
0.135
MAK-UNK-6c8f5f75-1
0.135
MAK-UNK-ed378e62-2
0.133
AAR-RCN-8752a6eb-1
0.133
MAR-TRE-6c5ef77a-52
0.132
MAR-TRE-6c5ef77a-91
0.132
ASH-UNK-e28bb067-9
0.132
MAK-UNK-4b073b5c-6
0.130
MAK-UNK-7732b35b-1
0.129
MAR-TRE-14ce9fd6-98
0.128
MAR-TRE-0fda4e82-51
0.128
ABI-SAT-f7794817-3
0.125
MAR-TRE-6c5ef77a-83
0.125
ABI-SAT-128a7dc3-2
0.125
ABI-SAT-aa268ad7-9
0.125
MAK-UNK-4b073b5c-24
0.125
SAD-SAT-edc8a235-7
0.125
SAD-SAT-edc8a235-9
0.125
MAK-UNK-be3f299e-11
0.125
ABI-SAT-95eab675-4
0.125
JOO-PER-74f994a9-1
0.122
MAK-UNK-ed378e62-43
0.122
SAD-SAT-6b5a89f0-5
0.122
ABI-SAT-128a7dc3-9
0.122
AAR-RCN-390aeb1f-1
0.122
MAK-UNK-6c8f5f75-4
0.122
SAD-SAT-6b5a89f0-4
0.122
MAK-UNK-ed378e62-8
0.121
AAR-RCN-748c104b-1
0.121
MAK-UNK-ed378e62-10
0.121
MAR-TRE-1c920f6f-40
0.120
ABI-SAT-f7794817-1
0.120
JOH-UNI-522b0723-4
0.120
SWA-SWA-8fdb1140-2
0.120