Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1C=NC1 |
| MW: | 80.04 |
| Fraction sp3: | 0.5 |
| HBA: | 2 |
| HBD: | 0 |
| Rotatable Bonds: | 0 |
| TPSA: | 36.15 |
| cLogP: | 0.21 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-9b4e5ff2-4
0.318
MAK-UNK-95198336-1
0.286
MAK-UNK-9b4e5ff2-6
0.261
MAK-UNK-9b4e5ff2-3
0.261
ABI-SAT-95eab675-3
0.250
MAK-UNK-9b4e5ff2-11
0.250
MAK-UNK-9b4e5ff2-1
0.250
MAK-UNK-9b4e5ff2-8
0.250
ABI-SAT-3cb25904-6
0.250
MAK-UNK-9b4e5ff2-9
0.240
ABI-SAT-128a7dc3-8
0.233
ABI-SAT-37d087dc-1
0.231
ABI-SAT-128a7dc3-1
0.231
ABI-SAT-2adc218e-1
0.229
MAK-UNK-6c8f5f75-3
0.220
MAK-UNK-95198336-2
0.217
MAK-UNK-9b4e5ff2-2
0.217
ABI-SAT-e641dd33-4
0.209
ASH-UNK-e28bb067-7
0.207
ASH-UNK-e28bb067-6
0.207
MAK-UNK-9b4e5ff2-5
0.207
ABI-SAT-2adc218e-10
0.206
MAK-UNK-9b4e5ff2-10
0.200
MAK-UNK-95198336-13
0.194
ASH-UNK-e28bb067-1
0.192
ABI-SAT-95eab675-5
0.192
ABI-SAT-95eab675-4
0.192
SAD-SAT-edc8a235-4
0.188
MAK-UNK-ed378e62-2
0.188
MAK-UNK-ed378e62-4
0.188
AAR-RCN-98de6bc7-1
0.188
AAR-RCN-ec065b93-1
0.188
AAR-RCN-934be69e-1
0.188
ABI-SAT-aa268ad7-10
0.188
ABI-SAT-f7794817-1
0.185
MAK-UNK-95198336-12
0.182
SAD-SAT-edc8a235-2
0.182
MAK-UNK-7732b35b-1
0.182
YOI-UNK-4c10088f-3
0.182
MAK-UNK-ca11b4f7-4
0.182
MAR-UNI-9d4da90d-6
0.182
ABI-SAT-128a7dc3-4
0.179
MAK-UNK-be3f299e-11
0.176
AAR-POS-f650c5f2-3
0.172
JAN-UNI-2e92c4b1-3
0.172
PET-SGC-39d74636-2
0.172
MAK-UNK-ed378e62-10
0.171
AAR-RCN-748c104b-1
0.171
AAR-RCN-9c8a34f0-1
0.171
MAK-UNK-ed378e62-8
0.171
MAK-UNK-ed378e62-6
0.171
MAR-TRE-a3327163-86
0.170
MAK-UNK-ed378e62-39
0.167
MAK-UNK-be3f299e-8
0.167
ABI-SAT-95eab675-2
0.167
ABI-SAT-128a7dc3-9
0.163
MAK-UNK-6c8f5f75-4
0.163
MAK-UNK-ed378e62-43
0.163
ABI-SAT-128a7dc3-10
0.162
ABI-SAT-95eab675-6
0.162
ABI-SAT-2adc218e-4
0.161
ABI-SAT-f7794817-4
0.161
AHN-ATE-25a8153f-1
0.161
ABI-SAT-3cb25904-4
0.161
ABI-SAT-128a7dc3-5
0.161
MAK-UNK-6c8f5f75-5
0.159
ABI-SAT-2adc218e-3
0.158
MAK-UNK-4b073b5c-7
0.158
MAK-UNK-4b073b5c-9
0.158
MAK-UNK-95198336-9
0.158
JOO-PER-74f994a9-1
0.157
MAR-TRE-1c920f6f-64
0.157
ABI-SAT-3cb25904-5
0.156
AAR-POS-f650c5f2-2
0.156
MAK-UNK-987948f6-14
0.156
ABI-SAT-2adc218e-9
0.156
YOI-UNK-144e4c15-1
0.155
MAK-UNK-4b073b5c-6
0.154
ABI-SAT-128a7dc3-7
0.154
MAK-UNK-ed378e62-38
0.154
JOH-UNI-522b0723-4
0.154
JOH-UNI-522b0723-1
0.154
MAR-TRE-85681e92-89
0.152
MAK-UNK-ed378e62-29
0.152
AAR-RCN-8752a6eb-1
0.152
ABI-SAT-2adc218e-5
0.152
JOH-UNI-522b0723-3
0.151
MAR-TRE-1c920f6f-85
0.151
JOH-UNI-522b0723-2
0.151
JOH-UNI-522b0723-6
0.151
MAK-UNK-95198336-10
0.150
MAK-UNK-6c8f5f75-1
0.150
MAK-UNK-ed378e62-28
0.149
JOH-UNI-522b0723-5
0.148
MAK-UNK-7732b35b-3
0.147
JON-UIO-cc955e79-3
0.147
ABI-SAT-3cb25904-2
0.146
ASH-UNK-e28bb067-9
0.146
MAR-TRE-85681e92-75
0.146
ABI-SAT-aa268ad7-7
0.146