Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1ONO1 |
| MW: | 86.01 |
| Fraction sp3: | 0.5 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 0 |
| TPSA: | 54.28 |
| cLogP: | -0.7 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-9b4e5ff2-11
0.400
MAK-UNK-9b4e5ff2-9
0.381
MAK-UNK-9b4e5ff2-2
0.300
MAK-UNK-9b4e5ff2-8
0.273
MAK-UNK-9b4e5ff2-1
0.273
ASH-UNK-e28bb067-1
0.261
ABI-SAT-95eab675-5
0.261
MAK-UNK-95198336-1
0.250
MAK-UNK-9b4e5ff2-4
0.227
MAK-UNK-9b4e5ff2-6
0.227
MAK-UNK-9b4e5ff2-3
0.227
ABI-SAT-3cb25904-6
0.217
ABI-SAT-3cb25904-4
0.214
ABI-SAT-3cb25904-5
0.207
ABI-SAT-128a7dc3-1
0.200
ABI-SAT-2adc218e-5
0.200
MAK-UNK-9b4e5ff2-7
0.200
SAD-SAT-edc8a235-2
0.194
ABI-SAT-128a7dc3-4
0.192
MAK-UNK-95198336-2
0.182
ASH-UNK-e28bb067-6
0.179
ABI-SAT-95eab675-2
0.179
ASH-UNK-e28bb067-7
0.179
MAK-UNK-9b4e5ff2-5
0.179
MAK-UNK-4b073b5c-7
0.176
MAK-UNK-4b073b5c-9
0.176
ABI-SAT-2adc218e-4
0.172
ABI-SAT-128a7dc3-5
0.172
ABI-SAT-f7794817-4
0.172
ABI-SAT-2adc218e-1
0.171
ABI-SAT-128a7dc3-8
0.167
MAK-UNK-95198336-13
0.167
ABI-SAT-2adc218e-9
0.167
SAD-SAT-edc8a235-4
0.161
MAK-UNK-95198336-10
0.158
MAK-UNK-95198336-12
0.156
ABI-SAT-f7794817-1
0.154
ABI-SAT-2adc218e-7
0.150
ABI-SAT-2adc218e-10
0.147
MAK-UNK-be3f299e-3
0.143
SAD-SAT-6b5a89f0-7
0.143
ABI-SAT-27442b71-1
0.143
MAK-UNK-6c8f5f75-4
0.143
ABI-SAT-f7794817-2
0.143
SAD-SAT-6b5a89f0-4
0.143
MAK-UNK-be3f299e-10
0.139
ABI-SAT-128a7dc3-10
0.139
ABI-SAT-95eab675-6
0.139
ABI-SAT-95eab675-3
0.138
ABI-SAT-2adc218e-8
0.138
MAK-UNK-be3f299e-8
0.138
ABI-SAT-128a7dc3-3
0.136
MAK-UNK-95198336-9
0.135
ABI-SAT-2adc218e-3
0.135
AHN-ATE-25a8153f-1
0.133
ABI-SAT-128a7dc3-7
0.132
AAR-POS-f650c5f2-2
0.129
MAK-UNK-6c8f5f75-1
0.128
ABI-SAT-3cb25904-3
0.125
ABI-SAT-3cb25904-2
0.125
ASH-UNK-e28bb067-9
0.125
MAR-TRE-6c5ef77a-38
0.125
MAR-TRE-0fda4e82-57
0.123
MAK-UNK-ed378e62-40
0.122
ABI-SAT-37d087dc-1
0.122
ABI-SAT-897caeb8-6
0.122
MAK-UNK-7732b35b-3
0.121
MAK-UNK-7732b35b-1
0.121
MAK-UNK-4b073b5c-6
0.120
SAD-SAT-edc8a235-7
0.119
MAK-UNK-be3f299e-11
0.118
MAK-UNK-6c8f5f75-3
0.116
SAD-SAT-6b5a89f0-5
0.116
MAK-UNK-ed378e62-43
0.116
ABI-SAT-128a7dc3-9
0.116
ABI-SAT-f7794817-3
0.115
ABI-SAT-128a7dc3-2
0.115
ABI-SAT-95eab675-4
0.115
JOH-UNI-522b0723-1
0.115
MAK-UNK-4b073b5c-24
0.115
MAK-UNK-95198336-15
0.115
ABI-SAT-3cb25904-1
0.115
SAD-SAT-edc8a235-9
0.115
YOI-UNK-f445e09d-1
0.114
MAK-UNK-6c8f5f75-5
0.114
MAK-UNK-7732b35b-11
0.114
YOI-UNK-9f5fb3d8-1
0.114
SAD-SAT-edc8a235-5
0.111
ABI-SAT-e641dd33-1
0.111
ABI-SAT-ddc50085-3
0.111
ABI-SAT-e641dd33-4
0.111
YOI-UNK-4c10088f-3
0.111
MAK-UNK-be3f299e-7
0.111
MAK-UNK-be3f299e-9
0.111
MAK-UNK-ed378e62-1
0.111
MAR-TRE-0fda4e82-37
0.109
MAK-UNK-6c8f5f75-2
0.109
MAK-UNK-7732b35b-12
0.109
MAR-TRE-6c5ef77a-76
0.109
MAK-UNK-7732b35b-7
0.108