Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1OCO1 |
| MW: | 85.02 |
| Fraction sp3: | 0.67 |
| HBA: | 3 |
| HBD: | 0 |
| Rotatable Bonds: | 0 |
| TPSA: | 42.25 |
| cLogP: | -0.16 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-9b4e5ff2-10
0.400
MAK-UNK-9b4e5ff2-9
0.318
MAK-UNK-95198336-1
0.316
MAK-UNK-9b4e5ff2-3
0.286
MAK-UNK-9b4e5ff2-4
0.286
MAK-UNK-9b4e5ff2-6
0.286
MAK-UNK-9b4e5ff2-8
0.273
ABI-SAT-3cb25904-6
0.273
MAK-UNK-9b4e5ff2-1
0.273
ABI-SAT-128a7dc3-1
0.250
MAK-UNK-9b4e5ff2-7
0.250
MAK-UNK-95198336-2
0.238
MAK-UNK-9b4e5ff2-2
0.238
ASH-UNK-e28bb067-7
0.222
MAK-UNK-9b4e5ff2-5
0.222
ASH-UNK-e28bb067-6
0.222
ABI-SAT-95eab675-5
0.208
ASH-UNK-e28bb067-1
0.208
ABI-SAT-128a7dc3-8
0.207
MAK-UNK-95198336-13
0.207
ABI-SAT-2adc218e-3
0.200
SAD-SAT-6b5a89f0-7
0.200
SAD-SAT-6b5a89f0-4
0.200
SAD-SAT-edc8a235-2
0.194
MAK-UNK-95198336-12
0.194
ABI-SAT-128a7dc3-4
0.192
MAK-UNK-95198336-10
0.189
ABI-SAT-2adc218e-10
0.182
MAK-UNK-be3f299e-8
0.179
ABI-SAT-95eab675-3
0.179
MAK-UNK-be3f299e-3
0.176
MAK-UNK-4b073b5c-9
0.176
MAK-UNK-4b073b5c-7
0.176
ABI-SAT-128a7dc3-5
0.172
ABI-SAT-2adc218e-4
0.172
ABI-SAT-3cb25904-4
0.172
ABI-SAT-f7794817-4
0.172
ABI-SAT-128a7dc3-10
0.171
ABI-SAT-95eab675-6
0.171
MAK-UNK-be3f299e-10
0.171
MAK-UNK-95198336-9
0.167
ABI-SAT-2adc218e-9
0.167
ABI-SAT-3cb25904-5
0.167
ABI-SAT-128a7dc3-7
0.162
SAD-SAT-edc8a235-4
0.161
ABI-SAT-2adc218e-5
0.161
ABI-SAT-95eab675-4
0.160
MAK-UNK-6c8f5f75-1
0.158
ASH-UNK-e28bb067-9
0.154
ABI-SAT-3cb25904-2
0.154
MAK-UNK-be3f299e-11
0.152
ABI-SAT-2adc218e-7
0.150
SAD-SAT-edc8a235-7
0.146
SAD-SAT-1b030f84-10
0.145
MAK-UNK-6c8f5f75-3
0.143
SAD-SAT-6b5a89f0-5
0.143
ABI-SAT-128a7dc3-9
0.143
MAK-UNK-be3f299e-7
0.143
MAK-UNK-be3f299e-9
0.143
MAK-UNK-6c8f5f75-4
0.143
SAD-SAT-edc8a235-5
0.143
MAK-UNK-6c8f5f75-5
0.140
MAR-TRE-14ce9fd6-99
0.139
ABI-SAT-2adc218e-1
0.139
ABI-SAT-e641dd33-5
0.139
ABI-SAT-95eab675-2
0.138
ABI-SAT-2adc218e-8
0.138
JOH-UNI-522b0723-1
0.137
YOI-UNK-4c10088f-3
0.136
ABI-SAT-ddc50085-3
0.136
ABI-SAT-128a7dc3-3
0.136
MAR-TRE-6c5ef77a-21
0.135
JOH-UNI-522b0723-2
0.135
AHN-ATE-25a8153f-1
0.133
MAK-UNK-6c8f5f75-2
0.133
JON-UIO-066ce08b-12
0.132
MAR-TRE-6c5ef77a-6
0.129
MAK-UNK-95198336-17
0.129
MAR-TRE-1c920f6f-23
0.128
ABI-SAT-aa268ad7-7
0.128
JOH-UNI-27ac80fd-12
0.128
JOH-UNI-27ac80fd-14
0.127
MAK-UNK-ed378e62-2
0.125
MAR-TRE-6c5ef77a-38
0.125
ABI-SAT-3cb25904-3
0.125
MAK-UNK-be3f299e-5
0.125
UNK-CYC-68f84b31-2
0.123
MAR-TRE-0fda4e82-57
0.123
MAR-TRE-6c5ef77a-88
0.122
ABI-SAT-37d087dc-1
0.122
MAR-TRE-14ce9fd6-98
0.122
YOI-UNK-144e4c15-1
0.121
MAK-UNK-4b073b5c-6
0.120
JAN-UNI-2e92c4b1-3
0.119
PET-SGC-39d74636-2
0.119
MAK-UNK-987948f6-9
0.119
DRR-IMP-38dce17f-7
0.118
ABI-SAT-aa268ad7-8
0.118
ASH-IND-65ab4b99-4
0.118
JOO-PER-74f994a9-1
0.118