Molecular Properties | |
SMILES: | N#Cc1ncc(Sc2ccsc2)cn1 |
MW: | 218.99 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 49.57 |
cLogP: | 2.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-41
0.511
MAK-UNK-ed378e62-32
0.510
MAK-UNK-7732b35b-29
0.462
MAK-UNK-ed378e62-27
0.438
MAK-UNK-ed378e62-35
0.431
MAK-UNK-ed378e62-29
0.431
MAK-UNK-ed378e62-8
0.419
MAK-UNK-ed378e62-31
0.404
MAK-UNK-ed378e62-37
0.396
MAK-UNK-ed378e62-4
0.349
AAR-RCN-98de6bc7-1
0.349
MAK-UNK-ed378e62-34
0.327
MAK-UNK-ed378e62-26
0.327
MAK-UNK-849bee6c-16
0.325
MAK-UNK-ed378e62-28
0.321
AAR-RCN-934be69e-1
0.318
MAK-UNK-ed378e62-2
0.318
AAR-RCN-ec065b93-1
0.318
MAK-UNK-ed378e62-30
0.298
MAK-UNK-ed378e62-18
0.298
AAR-RCN-9c8a34f0-1
0.298
MAK-UNK-ed378e62-6
0.298
MAK-UNK-ed378e62-10
0.298
MAK-UNK-ed378e62-36
0.288
MAK-UNK-7732b35b-18
0.281
MAK-UNK-ed378e62-42
0.278
MAK-UNK-ed378e62-39
0.278
MAK-UNK-ed378e62-38
0.275
MAK-UNK-ed378e62-24
0.274
MAK-UNK-ed378e62-23
0.274
MAK-UNK-ed378e62-25
0.270
MAK-UNK-7732b35b-21
0.267
MAK-UNK-7732b35b-25
0.267
MAK-UNK-ed378e62-40
0.259
MAK-UNK-7732b35b-17
0.259
AAR-POS-f650c5f2-3
0.256
MAK-UNK-7732b35b-33
0.254
AAR-RCN-67438d21-1
0.250
MAK-UNK-ed378e62-43
0.250
MAK-UNK-72659d64-6
0.246
MAK-UNK-72659d64-3
0.246
MAK-UNK-7732b35b-28
0.242
MAK-UNK-72659d64-7
0.241
MAK-UNK-ed378e62-3
0.240
ABI-SAT-aa268ad7-10
0.234
MAK-UNK-72659d64-2
0.233
MAK-UNK-5e88aa6a-15
0.232
MAK-UNK-ed378e62-9
0.222
AAR-RCN-37d0aa00-1
0.220
MAK-UNK-5e88aa6a-13
0.218
MAK-UNK-ed378e62-7
0.218
MAK-UNK-ed378e62-1
0.216
MAK-UNK-ed378e62-21
0.215
MAK-UNK-ed378e62-19
0.215
MAK-UNK-5e88aa6a-14
0.214
MAK-UNK-ed378e62-17
0.213
MAK-UNK-7732b35b-24
0.210
AAR-RCN-8752a6eb-1
0.208
MAK-UNK-ed378e62-16
0.203
MAK-UNK-849bee6c-4
0.200
MAK-UNK-849bee6c-7
0.200
MAK-UNK-7732b35b-14
0.200
MAK-UNK-849bee6c-9
0.198
MIH-UNI-6b9ca91a-7
0.197
MAK-UNK-72659d64-15
0.197
MAK-UNK-72659d64-4
0.197
MAK-UNK-ed378e62-20
0.197
MAK-UNK-7732b35b-15
0.197
MAK-UNK-ed378e62-5
0.196
MAK-UNK-ed378e62-22
0.194
MAK-UNK-849bee6c-14
0.190
MAK-UNK-72659d64-11
0.188
MAR-TRE-a3327163-67
0.187
MAK-UNK-849bee6c-12
0.186
MAK-UNK-7732b35b-20
0.185
MAR-TRE-a3327163-90
0.184
WAR-XCH-b72a1bbc-37
0.184
ABI-SAT-f7794817-1
0.182
MAK-UNK-7732b35b-32
0.182
MAK-UNK-9955b1f3-10
0.180
MAK-UNK-ca11b4f7-4
0.180
MAK-UNK-7732b35b-1
0.180
MAR-TRE-a3327163-15
0.179
MAK-UNK-72659d64-9
0.179
MAK-UNK-10dfa458-20
0.179
MAK-UNK-ed378e62-11
0.177
MAR-TRE-6c5ef77a-22
0.177
MAK-UNK-10dfa458-46
0.176
MAK-UNK-6ca90168-22
0.176
LON-WEI-4d77710c-70
0.176
LON-WEI-5e7d1b3e-70
0.176
MAR-TRE-14ce9fd6-85
0.175
MAR-TRE-6c5ef77a-40
0.175
MAR-TRE-14ce9fd6-29
0.175
MAK-UNK-212f693e-5
0.175
MAK-UNK-72659d64-8
0.174
MAR-TRE-14ce9fd6-57
0.173
AAR-RCN-748c104b-1
0.173
MAR-TRE-6c5ef77a-20
0.173
AAR-POS-d2a4d1df-5
0.172