Molecule Details
| Molecular Properties | |
| SMILES: | N#Cc1cs[nH]1 |
| MW: | 97.99 |
| Fraction sp3: | 0.0 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 0 |
| TPSA: | 39.58 |
| cLogP: | 0.95 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-5
ABI-SAT-27442b71-1
0.308
ABI-SAT-95eab675-1
0.250
MAK-UNK-987948f6-14
0.233
AAR-POS-f650c5f2-2
0.233
MAK-UNK-7732b35b-18
0.233
MAK-UNK-7732b35b-7
0.229
MAK-UNK-ed378e62-4
0.226
ABI-SAT-aa268ad7-10
0.226
MAK-UNK-7732b35b-1
0.219
MAK-UNK-7732b35b-3
0.219
ABI-SAT-f7794817-2
0.214
AAR-POS-f650c5f2-3
0.214
MAK-UNK-7732b35b-14
0.209
ABI-SAT-95eab675-2
0.207
MAR-TRE-3159af1a-83
0.205
MAK-UNK-4b073b5c-6
0.200
MAK-UNK-ed378e62-41
0.200
MAK-UNK-ed378e62-39
0.195
MAK-UNK-ed378e62-27
0.195
MAK-UNK-7732b35b-13
0.195
MAK-UNK-7732b35b-9
0.194
MAK-UNK-7732b35b-5
0.194
ABI-SAT-aa268ad7-11
0.194
ABI-SAT-f7794817-3
0.192
ABI-SAT-95eab675-4
0.192
MAK-UNK-7732b35b-29
0.191
MAK-UNK-7732b35b-21
0.191
MAK-UNK-7732b35b-25
0.191
MAK-UNK-7732b35b-28
0.188
AAR-RCN-8752a6eb-1
0.188
AAR-RCN-934be69e-1
0.188
AAR-RCN-ec065b93-1
0.188
SAD-SAT-edc8a235-4
0.188
MAK-UNK-ed378e62-2
0.188
AAR-RCN-98de6bc7-1
0.188
MAK-UNK-9b4e5ff2-7
0.185
MAK-UNK-ed378e62-38
0.184
MAK-UNK-7732b35b-32
0.184
MAK-UNK-ca11b4f7-4
0.182
MAK-UNK-ed378e62-33
0.182
MAK-UNK-7732b35b-33
0.180
MAK-UNK-ed378e62-29
0.178
MAK-UNK-ed378e62-31
0.178
MAK-UNK-ed378e62-35
0.178
MAK-UNK-7732b35b-17
0.178
LON-WEI-5e7d1b3e-70
0.175
LON-WEI-4d77710c-70
0.175
MAK-UNK-ed378e62-37
0.174
MAK-UNK-ed378e62-18
0.174
MAK-UNK-ed378e62-32
0.174
MAK-UNK-ed378e62-6
0.171
AAR-RCN-748c104b-1
0.171
AAR-RCN-37d0aa00-1
0.171
AAR-RCN-9c8a34f0-1
0.171
MAK-UNK-ed378e62-8
0.171
MAK-UNK-ed378e62-10
0.171
MAK-UNK-ed378e62-40
0.171
MAK-UNK-7732b35b-24
0.170
JOH-UNI-27ac80fd-27
0.170
MAK-UNK-ed378e62-26
0.167
ABI-SAT-897caeb8-2
0.167
ABI-SAT-95eab675-3
0.167
MAK-UNK-ed378e62-1
0.167
MAK-UNK-ed378e62-3
0.167
MAK-UNK-ed378e62-36
0.167
MAK-UNK-ed378e62-42
0.167
MAK-UNK-6ca90168-29
0.163
MAR-TRE-14ce9fd6-55
0.163
MAK-UNK-7732b35b-20
0.163
ABI-SAT-aa268ad7-5
0.163
MAK-UNK-ed378e62-43
0.163
ABI-SAT-897caeb8-4
0.163
ABI-SAT-aa268ad7-3
0.160
MAK-UNK-9b4e5ff2-4
0.160
ABI-SAT-30e287c1-1
0.159
YOI-UNK-50175d1a-1
0.159
DRV-UNK-7620afc8-1
0.159
YOI-UNK-9f5fb3d8-1
0.159
YOI-UNK-f445e09d-1
0.159
MAK-UNK-7732b35b-11
0.159
MAK-UNK-4b073b5c-7
0.158
MAK-UNK-4b073b5c-9
0.158
STE-UNK-dfade101-1
0.157
MAK-UNK-ed378e62-24
0.157
MAK-UNK-72659d64-9
0.157
MAK-UNK-ed378e62-23
0.157
ABI-SAT-aa268ad7-4
0.157
MAK-UNK-95198336-17
0.156
YOI-UNK-4c10088f-3
0.156
MAK-UNK-9b4e5ff2-8
0.154
MAK-UNK-9b4e5ff2-10
0.154
MAK-UNK-ed378e62-22
0.154
MAK-UNK-ed378e62-25
0.154
MAK-UNK-7732b35b-15
0.152
MAK-UNK-ed378e62-34
0.152
ABI-SAT-30e287c1-3
0.152
MAR-TRE-1c920f6f-28
0.152
MAK-UNK-7732b35b-12
0.152
MAR-TRE-6c5ef77a-78
0.150
AAR-RCN-9f0de475-1
0.150