Molecular Properties | |
SMILES: | N#Cc1ncc(-c2ccsc2)cn1 |
MW: | 187.02 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 49.57 |
cLogP: | 2.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | s_271570____9007614____13837796 |
Enamine Extended REAL: | s_271570____9007614____13837796 |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-38
0.442
MAK-UNK-ed378e62-33
0.438
MAK-UNK-ed378e62-26
0.435
MAK-UNK-ed378e62-35
0.429
MAK-UNK-ed378e62-29
0.429
MAK-UNK-ed378e62-31
0.429
MAK-UNK-ed378e62-37
0.420
MAK-UNK-ed378e62-18
0.420
MAK-UNK-5e88aa6a-14
0.413
MAK-UNK-7732b35b-18
0.400
MAK-UNK-ed378e62-4
0.375
MAK-UNK-ed378e62-2
0.341
AAR-RCN-ec065b93-1
0.341
AAR-RCN-934be69e-1
0.341
AAR-RCN-98de6bc7-1
0.341
MAK-UNK-ed378e62-32
0.340
MAK-UNK-ed378e62-28
0.340
MAK-UNK-5e88aa6a-13
0.333
MAK-UNK-ed378e62-34
0.321
MAK-UNK-5e88aa6a-15
0.320
MAK-UNK-ed378e62-6
0.318
MAK-UNK-ed378e62-8
0.318
AAR-RCN-9c8a34f0-1
0.318
MAK-UNK-ed378e62-10
0.318
MAK-UNK-ed378e62-30
0.315
WAR-XCH-b72a1bbc-3
0.306
MAK-UNK-ed378e62-25
0.305
MAK-UNK-ed378e62-36
0.304
MAK-UNK-ed378e62-41
0.300
MAK-UNK-ed378e62-23
0.288
MAK-UNK-ed378e62-24
0.288
MAK-UNK-72659d64-3
0.283
MAK-UNK-7732b35b-29
0.281
MAK-UNK-7732b35b-25
0.281
MAK-UNK-7732b35b-21
0.281
MAK-UNK-72659d64-7
0.278
AAR-POS-f650c5f2-3
0.275
MAK-UNK-ed378e62-40
0.275
MAK-UNK-849bee6c-7
0.274
MAK-UNK-7732b35b-17
0.273
MAK-UNK-ed378e62-39
0.269
MAK-UNK-ed378e62-42
0.269
MAK-UNK-72659d64-2
0.268
MAK-UNK-7732b35b-33
0.267
MAK-UNK-ed378e62-43
0.264
AAR-RCN-67438d21-1
0.264
MAK-UNK-72659d64-6
0.259
MAK-UNK-ed378e62-3
0.255
ABI-SAT-aa268ad7-10
0.250
MAK-UNK-ed378e62-21
0.246
MAK-UNK-ed378e62-17
0.246
MAK-UNK-ed378e62-9
0.235
AAR-RCN-37d0aa00-1
0.234
MAK-UNK-ed378e62-1
0.229
MAK-UNK-ed378e62-19
0.226
MAK-UNK-ed378e62-22
0.222
MAK-UNK-7732b35b-24
0.220
MAK-UNK-72659d64-11
0.215
MAK-UNK-7732b35b-28
0.213
MAK-UNK-7732b35b-14
0.211
MAK-UNK-ed378e62-7
0.208
MAK-UNK-ed378e62-5
0.208
MAK-UNK-849bee6c-16
0.207
MAK-UNK-ed378e62-11
0.207
MAK-UNK-72659d64-4
0.206
MAK-UNK-72659d64-9
0.206
MAK-UNK-ed378e62-20
0.206
MAK-UNK-72659d64-15
0.206
MAK-UNK-849bee6c-9
0.205
MAK-UNK-e4a48a85-21
0.205
MAK-UNK-e4a48a85-23
0.205
MAK-UNK-72659d64-1
0.200
MAK-UNK-849bee6c-14
0.198
MAK-UNK-72659d64-13
0.197
MAK-UNK-9955b1f3-5
0.197
AAR-RCN-8752a6eb-1
0.196
JOH-MR_-42fa5481-3
0.195
ABI-SAT-f7794817-1
0.195
WAR-XCH-b6889685-35
0.195
JOO-IND-b2fae8f6-1
0.194
MAK-UNK-ed378e62-16
0.194
MAK-UNK-ed378e62-13
0.194
MAK-UNK-7732b35b-20
0.194
MAK-UNK-849bee6c-12
0.193
MAK-UNK-849bee6c-4
0.193
MAR-TRE-a3327163-90
0.192
MAK-UNK-7732b35b-1
0.191
MAK-UNK-ca11b4f7-4
0.191
MAK-UNK-7732b35b-32
0.190
MAK-UNK-ed378e62-15
0.190
MAK-UNK-72659d64-5
0.190
SAD-SAT-6b5a89f0-10
0.189
MAK-UNK-10dfa458-20
0.188
MAK-UNK-7732b35b-15
0.186
MAK-UNK-516d8086-32
0.185
MAK-UNK-10dfa458-46
0.185
AAR-RCN-748c104b-1
0.184
MAK-UNK-72659d64-12
0.183
MAR-TRE-14ce9fd6-29
0.183
MAK-UNK-212f693e-5
0.183