Molecule Details
| Molecular Properties | |
| SMILES: | N#CC1=NCC1F |
| MW: | 98.03 |
| Fraction sp3: | 0.5 |
| HBA: | 2 |
| HBD: | 0 |
| Rotatable Bonds: | 0 |
| TPSA: | 36.15 |
| cLogP: | 0.3 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
ABI-SAT-3cb25904-6
0.320
ABI-SAT-95eab675-2
0.310
ABI-SAT-95eab675-4
0.308
MAK-UNK-9b4e5ff2-7
0.250
ABI-SAT-897caeb8-6
0.244
MAK-UNK-4b073b5c-6
0.222
MAK-UNK-9b4e5ff2-8
0.222
ABI-SAT-f7794817-4
0.219
MAK-UNK-95198336-17
0.212
ABI-SAT-aa268ad7-10
0.206
AAR-RCN-ec065b93-1
0.206
ABI-SAT-128a7dc3-4
0.200
YOI-UNK-50175d1a-1
0.200
MAK-UNK-7732b35b-3
0.200
MAK-UNK-95198336-1
0.200
YOI-UNK-4c10088f-3
0.196
AAR-POS-f650c5f2-3
0.194
MAK-UNK-95198336-2
0.192
ABI-SAT-2adc218e-8
0.188
ABI-SAT-95eab675-1
0.188
MAK-UNK-9b4e5ff2-3
0.185
MAK-UNK-9b4e5ff2-4
0.185
MAK-UNK-9b4e5ff2-6
0.185
MAR-TRE-a3327163-86
0.182
ABI-SAT-128a7dc3-5
0.182
MAK-UNK-7732b35b-5
0.179
ABI-SAT-128a7dc3-10
0.179
MAK-UNK-7732b35b-7
0.179
MAK-UNK-7732b35b-9
0.179
MAK-UNK-9b4e5ff2-1
0.179
MAK-UNK-9b4e5ff2-11
0.179
SAD-SAT-6b5a89f0-3
0.178
AAR-POS-f650c5f2-2
0.176
YOI-UNK-4c10088f-2
0.176
MAK-UNK-987948f6-14
0.176
ABI-SAT-128a7dc3-8
0.176
ABI-SAT-aa268ad7-11
0.176
DRV-UNK-7620afc8-1
0.174
MAK-UNK-9b4e5ff2-9
0.172
ABI-SAT-f7794817-3
0.172
MAK-UNK-ed378e62-2
0.171
MAK-UNK-ed378e62-4
0.171
AAR-RCN-8752a6eb-1
0.171
AAR-RCN-98de6bc7-1
0.171
AAR-RCN-934be69e-1
0.171
MAK-UNK-ed378e62-38
0.171
ABI-SAT-128a7dc3-7
0.171
MAK-UNK-72659d64-14
0.170
ABI-SAT-e641dd33-4
0.170
MAR-TRE-14ce9fd6-91
0.170
MAK-UNK-7732b35b-1
0.167
MAK-UNK-95198336-12
0.167
ABI-SAT-f7794817-1
0.167
ABI-SAT-2adc218e-7
0.167
ABI-SAT-128a7dc3-1
0.167
SAD-SAT-edc8a235-2
0.167
MAK-UNK-ca11b4f7-4
0.167
MAR-TRE-14ce9fd6-5
0.164
JOH-UNI-522b0723-2
0.164
JOH-UNI-522b0723-6
0.164
MAR-TRE-3724962b-26
0.163
ABI-SAT-aa268ad7-6
0.163
MAR-TRE-6c5ef77a-98
0.163
ABI-SAT-aa268ad7-7
0.160
ABI-SAT-37d087dc-1
0.159
AAR-RCN-9c8a34f0-1
0.158
MAK-UNK-ed378e62-6
0.158
MAK-UNK-ed378e62-10
0.158
MAR-TRE-14ce9fd6-2
0.158
AAR-RCN-748c104b-1
0.158
ABI-SAT-2adc218e-10
0.158
AAR-RCN-37d0aa00-1
0.158
MAK-UNK-ed378e62-8
0.158
MAK-UNK-ed378e62-36
0.157
MAR-TRE-14ce9fd6-46
0.156
ABI-SAT-f7794817-2
0.156
ABI-SAT-27442b71-1
0.156
MAR-TRE-1c920f6f-80
0.156
MAR-TRE-1c920f6f-72
0.156
MAR-TRE-0fda4e82-50
0.156
MAK-UNK-ed378e62-39
0.156
MAR-TRE-14ce9fd6-96
0.155
MAK-UNK-ed378e62-1
0.154
MAK-UNK-ed378e62-3
0.154
ABI-SAT-128a7dc3-3
0.154
JOR-UNI-61e7b1d5-9
0.153
MAR-TRE-14ce9fd6-79
0.153
MAK-UNK-72659d64-10
0.152
AAR-RCN-390aeb1f-1
0.152
MAK-UNK-ed378e62-43
0.152
MAK-UNK-be3f299e-8
0.152
ASH-UNK-e28bb067-6
0.152
ASH-UNK-e28bb067-7
0.152
MAK-UNK-9b4e5ff2-5
0.152
MAK-UNK-72659d64-5
0.151
ABI-SAT-2adc218e-1
0.150
ABI-SAT-897caeb8-1
0.150
MAR-TRE-14ce9fd6-19
0.150
ABI-SAT-e641dd33-5
0.150
MAR-TRE-14ce9fd6-14
0.149