Molecule Details
| Molecular Properties | |
| SMILES: | N#CC12CC1C2 |
| MW: | 79.04 |
| Fraction sp3: | 0.8 |
| HBA: | 1 |
| HBD: | 0 |
| Rotatable Bonds: | 0 |
| TPSA: | 23.79 |
| cLogP: | 0.92 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-be3f299e-8
0.409
MAK-UNK-be3f299e-11
0.333
MAK-UNK-95198336-1
0.278
MAK-UNK-9b4e5ff2-3
0.250
MAK-UNK-9b4e5ff2-4
0.250
MAK-UNK-9b4e5ff2-6
0.250
MAK-UNK-9b4e5ff2-5
0.240
MAK-UNK-9b4e5ff2-8
0.238
ABI-SAT-3cb25904-6
0.238
MAK-UNK-9b4e5ff2-1
0.238
MAK-UNK-9b4e5ff2-11
0.238
MAK-UNK-9b4e5ff2-9
0.227
ABI-SAT-128a7dc3-8
0.222
ABI-SAT-128a7dc3-1
0.217
MAK-UNK-9b4e5ff2-7
0.217
ABI-SAT-128a7dc3-4
0.208
MAK-UNK-4b073b5c-7
0.200
MAK-UNK-4b073b5c-9
0.200
MAK-UNK-9b4e5ff2-2
0.200
ABI-SAT-95eab675-3
0.192
ASH-UNK-e28bb067-7
0.192
ASH-UNK-e28bb067-6
0.192
MAK-UNK-9b4e5ff2-10
0.182
MAK-UNK-95198336-13
0.179
ABI-SAT-95eab675-4
0.174
ABI-SAT-95eab675-5
0.174
ASH-UNK-e28bb067-1
0.174
ABI-SAT-128a7dc3-7
0.171
MAK-UNK-f983951f-17
0.171
SWA-SWA-8fdb1140-2
0.167
ABI-SAT-2adc218e-7
0.167
SAD-SAT-edc8a235-2
0.167
MAK-UNK-95198336-12
0.167
MAR-TRE-14ce9fd6-98
0.158
ABI-SAT-2adc218e-10
0.156
MAK-UNK-f983951f-15
0.154
MAK-UNK-f983951f-14
0.154
MAK-UNK-be3f299e-3
0.152
MAK-UNK-be3f299e-9
0.152
SAD-SAT-edc8a235-5
0.152
MAT-POS-590ac91e-26
0.151
ABI-SAT-128a7dc3-3
0.150
ABI-SAT-95eab675-2
0.148
ABI-SAT-2adc218e-8
0.148
ABI-SAT-e641dd33-5
0.147
ABI-SAT-95eab675-6
0.147
MAK-UNK-be3f299e-10
0.147
MAR-TRE-14ce9fd6-99
0.147
ABI-SAT-128a7dc3-10
0.147
MAK-UNK-f983951f-8
0.146
ABI-SAT-2adc218e-3
0.143
AHN-ATE-25a8153f-1
0.143
ABI-SAT-128a7dc3-5
0.143
MAK-UNK-95198336-9
0.143
ABI-SAT-f7794817-4
0.143
ABI-SAT-2adc218e-4
0.143
ABI-SAT-3cb25904-4
0.143
MAK-UNK-95198336-17
0.138
BET-COM-8a5969bb-1
0.138
MAK-UNK-0cb6a3ad-3
0.138
ABI-SAT-3cb25904-5
0.138
ABI-SAT-2adc218e-9
0.138
ABI-SAT-3cb25904-3
0.136
MAK-UNK-6c8f5f75-1
0.135
MAK-UNK-95198336-10
0.135
ABI-SAT-2adc218e-5
0.133
SAD-SAT-edc8a235-4
0.133
ASH-UNK-e28bb067-9
0.132
ABI-SAT-3cb25904-2
0.132
MAK-UNK-4b073b5c-6
0.130
NEE-PAC-882c416c-1
0.129
ABI-SAT-37d087dc-1
0.128
MAR-TRE-0fda4e82-51
0.128
MAR-TRE-14ce9fd6-32
0.128
ABI-SAT-128a7dc3-2
0.125
SAD-SAT-edc8a235-7
0.125
MAK-UNK-95198336-15
0.125
MAK-UNK-4b073b5c-24
0.125
SAD-SAT-edc8a235-9
0.125
ABI-SAT-f7794817-3
0.125
ABI-SAT-3cb25904-1
0.125
SAD-SAT-6b5a89f0-5
0.122
ABI-SAT-128a7dc3-9
0.122
SAD-SAT-6b5a89f0-4
0.122
SAD-SAT-6b5a89f0-7
0.122
MAK-UNK-6c8f5f75-4
0.122
MAK-UNK-6c8f5f75-3
0.122
AAR-RCN-37d0aa00-1
0.121
WIL-NOV-649f4ed0-3
0.120
ABI-SAT-e641dd33-1
0.120
ABI-SAT-f7794817-1
0.120
MAK-UNK-ed378e62-1
0.118
MAK-UNK-ed378e62-3
0.118
MAK-UNK-be3f299e-7
0.118
ABI-SAT-ddc50085-3
0.116
MAR-TRE-6c5ef77a-34
0.116
ABI-SAT-e641dd33-4
0.116
ASH-UNK-e28bb067-2
0.115
MAR-TRE-0fda4e82-92
0.115
JOH-UNI-522b0723-5
0.115