Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1CNO1 |
| MW: | 84.03 |
| Fraction sp3: | 0.67 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 0 |
| TPSA: | 45.05 |
| cLogP: | -0.59 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-9b4e5ff2-8
0.381
MAK-UNK-9b4e5ff2-10
0.381
MAK-UNK-9b4e5ff2-11
0.318
MAK-UNK-95198336-1
0.300
MAK-UNK-9b4e5ff2-3
0.273
MAK-UNK-9b4e5ff2-6
0.273
MAK-UNK-9b4e5ff2-4
0.273
SAD-SAT-edc8a235-2
0.267
MAK-UNK-9b4e5ff2-1
0.261
ABI-SAT-3cb25904-6
0.261
MAK-UNK-95198336-10
0.250
MAK-UNK-9b4e5ff2-7
0.240
ABI-SAT-128a7dc3-1
0.240
MAK-UNK-9b4e5ff2-2
0.227
MAK-UNK-95198336-2
0.227
SAD-SAT-6b5a89f0-7
0.225
SAD-SAT-6b5a89f0-4
0.225
ASH-UNK-e28bb067-7
0.214
ASH-UNK-e28bb067-6
0.214
MAK-UNK-9b4e5ff2-5
0.214
MAK-UNK-95198336-13
0.200
ABI-SAT-128a7dc3-8
0.200
ASH-UNK-e28bb067-1
0.200
ABI-SAT-95eab675-5
0.200
MAK-UNK-95198336-12
0.188
ABI-SAT-128a7dc3-4
0.185
ABI-SAT-2adc218e-10
0.176
ABI-SAT-95eab675-2
0.172
MAK-UNK-be3f299e-8
0.172
ABI-SAT-95eab675-3
0.172
MAK-UNK-be3f299e-3
0.171
MAK-UNK-4b073b5c-9
0.167
MAK-UNK-be3f299e-10
0.167
ABI-SAT-2adc218e-4
0.167
ABI-SAT-128a7dc3-5
0.167
ABI-SAT-3cb25904-4
0.167
ABI-SAT-f7794817-4
0.167
MAK-UNK-4b073b5c-7
0.167
ABI-SAT-128a7dc3-10
0.167
ABI-SAT-95eab675-6
0.167
SAD-SAT-1b030f84-10
0.164
MAK-UNK-95198336-9
0.162
ABI-SAT-2adc218e-3
0.162
ABI-SAT-2adc218e-9
0.161
ABI-SAT-3cb25904-5
0.161
AAR-POS-f650c5f2-2
0.161
ABI-SAT-128a7dc3-7
0.158
SAD-SAT-edc8a235-4
0.156
ABI-SAT-2adc218e-5
0.156
ABI-SAT-95eab675-4
0.154
MAK-UNK-6c8f5f75-1
0.154
MAK-UNK-7732b35b-1
0.152
MAK-UNK-7732b35b-3
0.152
ABI-SAT-3cb25904-2
0.150
ASH-UNK-e28bb067-9
0.150
JOH-UNI-27ac80fd-27
0.149
LON-WEI-5e7d1b3e-32
0.148
LON-WEI-4d77710c-32
0.148
ABI-SAT-f7794817-1
0.148
MAK-UNK-be3f299e-11
0.147
ABI-SAT-37d087dc-1
0.146
MAR-TRE-6c5ef77a-38
0.146
SAD-SAT-edc8a235-7
0.143
ABI-SAT-2adc218e-7
0.143
MAK-UNK-6c8f5f75-4
0.140
ABI-SAT-128a7dc3-9
0.140
MAK-UNK-6c8f5f75-3
0.140
SAD-SAT-6b5a89f0-5
0.140
SAD-SAT-edc8a235-5
0.139
MAK-UNK-be3f299e-7
0.139
MAK-UNK-be3f299e-9
0.139
ABI-SAT-27442b71-1
0.138
JOO-PER-74f994a9-1
0.137
MAR-TRE-14ce9fd6-99
0.135
MAK-UNK-7732b35b-5
0.135
ABI-SAT-e641dd33-5
0.135
MAK-UNK-7732b35b-9
0.135
ABI-SAT-2adc218e-1
0.135
MAK-UNK-7732b35b-7
0.135
YOI-UNK-9f5fb3d8-2
0.133
ABI-SAT-e641dd33-4
0.133
ABI-SAT-ddc50085-3
0.133
ABI-SAT-2adc218e-8
0.133
YOI-UNK-f445e09d-2
0.133
JOH-UNI-522b0723-3
0.132
JOH-UNI-522b0723-2
0.132
MAK-UNK-6c8f5f75-2
0.130
ABI-SAT-128a7dc3-3
0.130
MAK-UNK-7732b35b-18
0.130
AHN-ATE-25a8153f-1
0.129
MAR-TRE-a3327163-81
0.125
ASH-UNK-e28bb067-4
0.125
MAK-UNK-95198336-17
0.125
MAR-TRE-14ce9fd6-85
0.123
MAK-UNK-be3f299e-5
0.122
MAR-TRE-d3c2bf0e-49
0.122
MAR-TRE-6c5ef77a-52
0.122
MAK-UNK-95198336-8
0.121
ABI-SAT-3cb25904-3
0.120
MAR-TRE-a3327163-77
0.120