Molecular Properties | |
SMILES: | N#Cc1nccc(-c2ccsc2)n1 |
MW: | 187.02 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 49.57 |
cLogP: | 2.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-17
0.462
MAK-UNK-ed378e62-24
0.421
MAK-UNK-ed378e62-23
0.421
MAK-UNK-ed378e62-27
0.420
MAK-UNK-ed378e62-11
0.415
MAK-UNK-ed378e62-25
0.390
JOO-IND-b2fae8f6-1
0.371
AAR-RCN-37d0aa00-1
0.370
MAK-UNK-ed378e62-3
0.362
MAK-UNK-ed378e62-1
0.362
MAK-UNK-ed378e62-9
0.360
MAK-UNK-5e88aa6a-15
0.340
MAK-UNK-7732b35b-18
0.339
MAK-UNK-ed378e62-21
0.328
MAK-UNK-ed378e62-19
0.328
MAK-UNK-ed378e62-5
0.327
MAK-UNK-ed378e62-7
0.327
MAK-UNK-849bee6c-6
0.312
MAK-UNK-ed378e62-37
0.310
MAK-UNK-ed378e62-20
0.306
MAK-UNK-72659d64-1
0.305
MAK-UNK-ed378e62-22
0.302
MAK-UNK-ed378e62-14
0.300
MAK-UNK-ed378e62-33
0.298
MAK-UNK-5e88aa6a-14
0.296
MAK-UNK-ed378e62-16
0.295
MAK-UNK-ed378e62-35
0.293
MAK-UNK-ed378e62-29
0.293
MAK-UNK-ed378e62-31
0.293
MAK-UNK-72659d64-4
0.286
MAK-UNK-5e88aa6a-13
0.278
MAK-UNK-ed378e62-12
0.274
MAK-UNK-ed378e62-13
0.274
AAR-POS-f650c5f2-3
0.273
MAK-UNK-7732b35b-17
0.271
MAK-UNK-ed378e62-15
0.270
MAK-UNK-72659d64-5
0.270
MAK-UNK-72659d64-8
0.258
MAK-UNK-7732b35b-33
0.246
MAK-UNK-ed378e62-32
0.246
MAK-UNK-ed378e62-26
0.246
MAK-UNK-7732b35b-25
0.238
MAK-UNK-7732b35b-21
0.238
MAK-UNK-7732b35b-29
0.238
WAR-XCH-b72a1bbc-3
0.232
MAK-UNK-ed378e62-28
0.226
MAK-UNK-ed378e62-4
0.224
AAR-RCN-98de6bc7-1
0.224
MAK-UNK-ed378e62-36
0.219
MAK-UNK-ed378e62-38
0.218
JOO-IND-b2fae8f6-2
0.214
MAK-UNK-849bee6c-8
0.213
MAR-TRE-fd17a9b8-23
0.210
MAK-UNK-ed378e62-34
0.210
MAK-UNK-ed378e62-41
0.207
MAK-UNK-ed378e62-30
0.206
LON-WEI-5e7d1b3e-71
0.203
LON-WEI-4d77710c-71
0.203
MAK-UNK-ed378e62-43
0.200
MAK-UNK-ed378e62-2
0.200
MAK-UNK-72659d64-13
0.200
AAR-RCN-8752a6eb-1
0.200
AAR-RCN-ec065b93-1
0.200
AAR-RCN-934be69e-1
0.200
MAK-UNK-849bee6c-2
0.198
MAK-UNK-849bee6c-3
0.198
MAK-UNK-849bee6c-17
0.198
MAR-TRE-6c5ef77a-36
0.198
SCO-VAN-260d9628-3
0.192
MAK-UNK-7732b35b-15
0.190
ABI-SAT-ddc50085-4
0.190
MAK-UNK-ed378e62-8
0.189
MAK-UNK-ed378e62-10
0.189
AAR-RCN-9c8a34f0-1
0.189
AAR-RCN-748c104b-1
0.189
MAK-UNK-ed378e62-6
0.189
MAR-TRE-0fda4e82-63
0.188
MAR-TRE-14ce9fd6-48
0.188
MAR-TRE-0fda4e82-77
0.187
MAK-UNK-ed378e62-40
0.186
MAK-UNK-849bee6c-13
0.185
MAR-TRE-6c5ef77a-75
0.184
MAK-UNK-ed378e62-39
0.183
MAK-UNK-ed378e62-42
0.183
MAK-UNK-849bee6c-15
0.183
MAK-UNK-4b073b5c-6
0.182
MAR-TRE-a3327163-5
0.182
MAK-UNK-72659d64-10
0.180
MAK-UNK-987948f6-14
0.180
AAR-POS-f650c5f2-2
0.180
MAK-UNK-e4a48a85-23
0.180
MAK-UNK-7732b35b-28
0.179
MAR-TRE-0fda4e82-82
0.177
MIH-UNI-6b9ca91a-7
0.177
ABI-SAT-aa268ad7-10
0.176
STE-UNK-28609fce-1
0.176
MAK-UNK-212f693e-26
0.176
MAK-UNK-7732b35b-14
0.175
MAR-TRE-0fda4e82-44
0.174
MAK-UNK-72659d64-9
0.174