Molecular Properties | |
SMILES: | N#Cc1nccc(Oc2ccsc2)n1 |
MW: | 203.02 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 58.8 |
cLogP: | 2.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-20
0.509
MAK-UNK-ed378e62-13
0.474
MAK-UNK-ed378e62-31
0.455
MAK-UNK-ed378e62-5
0.451
MAK-UNK-ed378e62-18
0.421
MAK-UNK-7732b35b-21
0.383
MAK-UNK-ed378e62-25
0.381
MAK-UNK-ed378e62-24
0.365
MAK-UNK-849bee6c-13
0.357
AAR-RCN-37d0aa00-1
0.333
MAK-UNK-ed378e62-1
0.327
MAK-UNK-ed378e62-3
0.327
MAK-UNK-ed378e62-17
0.306
MAK-UNK-ed378e62-9
0.304
MAK-UNK-ed378e62-19
0.303
MAK-UNK-ed378e62-22
0.299
MAK-UNK-ed378e62-7
0.298
MAK-UNK-ed378e62-16
0.292
MAK-UNK-ed378e62-27
0.288
MAK-UNK-ed378e62-37
0.286
MAK-UNK-ed378e62-21
0.284
MAK-UNK-ed378e62-14
0.277
MAK-UNK-ed378e62-33
0.274
MAK-UNK-ed378e62-11
0.270
MAK-UNK-ed378e62-29
0.270
MAK-UNK-ed378e62-35
0.270
MAK-UNK-ed378e62-15
0.269
MAK-UNK-72659d64-4
0.265
MAK-UNK-72659d64-1
0.262
MAK-UNK-ed378e62-12
0.254
MAK-UNK-7732b35b-17
0.250
JOO-IND-b2fae8f6-1
0.250
MAK-UNK-72659d64-5
0.250
MAK-UNK-ed378e62-30
0.246
AAR-POS-f650c5f2-3
0.245
MAK-UNK-72659d64-8
0.239
AAR-RCN-748c104b-1
0.236
MAK-UNK-7732b35b-18
0.231
MAK-UNK-7732b35b-33
0.229
MAK-UNK-ed378e62-32
0.227
MAK-UNK-212f693e-29
0.222
MAK-UNK-849bee6c-6
0.222
MAK-UNK-7732b35b-25
0.221
MAK-UNK-7732b35b-29
0.221
AAR-RCN-9c8a34f0-1
0.214
MAK-UNK-ed378e62-6
0.214
MAR-TRE-0fda4e82-62
0.214
MAK-UNK-849bee6c-17
0.213
MAK-UNK-212f693e-26
0.211
MAK-UNK-ed378e62-40
0.210
MAK-UNK-ed378e62-28
0.209
MAK-UNK-ed378e62-26
0.206
MAK-UNK-212f693e-1
0.206
MAK-UNK-212f693e-30
0.205
MAK-UNK-ed378e62-4
0.204
AAR-RCN-98de6bc7-1
0.204
MAK-UNK-ed378e62-2
0.204
MAK-UNK-212f693e-23
0.203
MAK-UNK-ed378e62-36
0.203
MAK-UNK-212f693e-22
0.203
MAK-UNK-212f693e-28
0.203
MAK-UNK-212f693e-3
0.203
RAJ-NOV-842d5654-3
0.202
MAK-UNK-849bee6c-8
0.202
MAK-UNK-7732b35b-20
0.200
JOO-IND-b2fae8f6-2
0.200
MAK-UNK-212f693e-2
0.200
MAK-UNK-212f693e-21
0.200
MAK-UNK-212f693e-4
0.200
MAR-TRE-6c5ef77a-36
0.200
MAK-UNK-849bee6c-15
0.198
WAR-XCH-b6889685-19
0.198
MAR-TRE-1c920f6f-78
0.197
MAR-TRE-6c5ef77a-70
0.195
MAK-UNK-212f693e-11
0.195
MAK-UNK-212f693e-24
0.194
MAK-UNK-7732b35b-15
0.194
MAK-UNK-ed378e62-34
0.194
MAK-UNK-5e88aa6a-13
0.194
MAK-UNK-ed378e62-10
0.193
MAK-UNK-212f693e-9
0.192
MAK-UNK-212f693e-18
0.192
MAK-UNK-5e88aa6a-14
0.190
MAR-TRE-a3327163-20
0.190
MAR-TRE-14ce9fd6-63
0.189
MAK-UNK-212f693e-27
0.189
MAK-UNK-212f693e-31
0.189
MAK-UNK-212f693e-25
0.189
ABI-SAT-aa268ad7-7
0.188
MAK-UNK-849bee6c-3
0.188
MAK-UNK-849bee6c-2
0.188
MAR-TRE-6c5ef77a-75
0.187
MAK-UNK-212f693e-10
0.187
MAR-TRE-a3327163-26
0.186
MAR-TRE-a3327163-33
0.185
MAR-TRE-0fda4e82-38
0.183
AAR-RCN-8752a6eb-1
0.182
AAR-RCN-ec065b93-1
0.182
AAR-RCN-934be69e-1
0.182
MAR-TRE-0fda4e82-34
0.179