Molecular Properties | |
SMILES: | N#Cc1ncc(Nc2ccsc2)[nH]1 |
MW: | 190.03 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 64.5 |
cLogP: | 2.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-7732b35b-24
0.519
MAK-UNK-ed378e62-35
0.453
MAK-UNK-ed378e62-24
0.407
MAK-UNK-7732b35b-29
0.404
MAK-UNK-7732b35b-18
0.400
MAK-UNK-7732b35b-21
0.379
MAK-UNK-7732b35b-33
0.361
MAK-UNK-7732b35b-1
0.340
MAK-UNK-7732b35b-28
0.328
MAK-UNK-7732b35b-14
0.310
MAK-UNK-7732b35b-20
0.286
MAK-UNK-ed378e62-29
0.283
MAK-UNK-7732b35b-32
0.281
MAK-UNK-ed378e62-27
0.281
SAD-SAT-6b5a89f0-10
0.273
MAK-UNK-7732b35b-11
0.271
MAK-UNK-ed378e62-33
0.267
MAK-UNK-ed378e62-31
0.262
MAK-UNK-7732b35b-12
0.262
MAK-UNK-7732b35b-13
0.259
MAK-UNK-ed378e62-37
0.258
DAR-DIA-842b4336-24
0.253
DAR-DIA-842b4336-1
0.246
MAK-UNK-acefcb18-13
0.246
MAK-UNK-7732b35b-17
0.242
MAK-UNK-ed378e62-34
0.242
MAK-UNK-ed378e62-18
0.238
MAK-UNK-ed378e62-28
0.238
MAK-UNK-212f693e-5
0.238
MAK-UNK-ed378e62-10
0.226
MAK-UNK-212f693e-20
0.224
MAK-UNK-e4a48a85-2
0.222
MAR-TRE-87acfbcc-71
0.221
MAK-UNK-ed378e62-23
0.221
MAK-UNK-5e88aa6a-14
0.220
AAR-POS-f650c5f2-2
0.220
MAK-UNK-7732b35b-9
0.218
MAK-UNK-ed378e62-25
0.217
MAK-UNK-ed378e62-42
0.217
ABI-SAT-aa268ad7-10
0.216
MAK-UNK-212f693e-14
0.212
MAK-UNK-212f693e-13
0.211
MAK-UNK-ed378e62-9
0.207
MAR-TRE-87acfbcc-37
0.206
MAK-UNK-acefcb18-6
0.205
MAK-UNK-5e88aa6a-13
0.203
MAK-UNK-ed378e62-21
0.203
MAK-UNK-ed378e62-19
0.203
MAK-UNK-10dfa458-46
0.200
AAR-POS-d2a4d1df-5
0.200
MAK-UNK-ed378e62-32
0.200
MAK-UNK-6ca90168-22
0.197
MAK-UNK-212f693e-19
0.197
MAK-UNK-212f693e-33
0.197
MAK-UNK-ed378e62-26
0.197
MAK-UNK-5e88aa6a-15
0.197
MAK-UNK-7732b35b-5
0.196
MAK-UNK-7732b35b-7
0.196
MAK-UNK-acefcb18-7
0.195
MAR-TRE-87acfbcc-70
0.194
AAR-RCN-934be69e-1
0.192
MAK-UNK-ed378e62-4
0.192
ABI-SAT-f7794817-1
0.191
MAK-UNK-72659d64-3
0.190
MAK-UNK-7264f48c-1
0.190
MAK-UNK-e4a48a85-1
0.190
MAK-UNK-ed378e62-38
0.190
MAR-TRE-87acfbcc-52
0.189
MAK-UNK-7732b35b-3
0.189
MAR-TRE-0fda4e82-89
0.188
DAR-DIA-842b4336-19
0.188
MAK-UNK-bdda130a-7
0.187
MAR-TRE-3159af1a-83
0.185
MAT-POS-ea426761-50
0.184
WAR-XCH-e55cba98-8
0.184
DAN-MCD-02570321-1
0.184
MAR-TRE-6c5ef77a-55
0.183
MAR-TRE-a9136c7b-43
0.182
AAR-RCN-9c8a34f0-1
0.182
AAR-RCN-37d0aa00-1
0.182
WAR-XCH-b6889685-31
0.182
DAR-DIA-23aa0b97-8
0.182
MAK-UNK-ed378e62-6
0.182
MAK-UNK-ed378e62-30
0.182
MAR-TRE-6c5ef77a-40
0.181
DAR-DIA-842b4336-10
0.181
MAK-UNK-ed378e62-41
0.180
ABI-SAT-95eab675-1
0.180
WAR-XCH-e55cba98-4
0.180
MAR-TRE-6c5ef77a-46
0.179
MAR-TRE-6c5ef77a-20
0.179
BEN-DND-61647d40-4
0.178
MAK-UNK-ed378e62-39
0.177
MAK-UNK-30aad1f1-17
0.177
MAR-TRE-8190bb11-84
0.177
MAK-UNK-ed378e62-36
0.176
MAK-UNK-212f693e-17
0.176
MAK-UNK-ed378e62-14
0.176
MAK-UNK-e4a48a85-20
0.176
MAK-UNK-bdda130a-6
0.176