Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2ccc(C3CN(C(=O)CCl)Cc4ccccc43)cc2c1 |
MW: | 414.914 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 80.47 |
cLogP: | 3.2001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
TAM-UNI-d1c3dd9f-3
1.000
NIR-THE-c331be7a-5
1.000
AAR-POS-0daf6b7e-14
0.558
DAV-CRI-3fe943ba-1
0.556
NIR-THE-c331be7a-1
0.549
DAR-DIA-caba39e3-10
0.542
DAV-CRI-3fe943ba-2
0.533
NIR-THE-c331be7a-6
0.530
DAR-DIA-caba39e3-1
0.530
DAR-DIA-caba39e3-2
0.523
NIR-THE-c331be7a-2
0.518
TAM-UNI-d1c3dd9f-8
0.495
MIH-UNI-e573136b-9
0.460
NIR-THE-c331be7a-4
0.460
TAM-UNI-d1c3dd9f-10
0.439
TAM-UNI-d1c3dd9f-11
0.434
TAM-UNI-d1c3dd9f-7
0.431
JAR-IMP-ed466bb3-2
0.430
JAR-IMP-ed466bb3-13
0.429
JAR-IMP-ed466bb3-6
0.425
DAR-DIA-caba39e3-7
0.421
DAR-DIA-caba39e3-8
0.421
IND-SYN-6c8299e8-3
0.421
DAR-DIA-caba39e3-3
0.420
DAR-DIA-caba39e3-9
0.418
NIR-THE-0d6461ce-4
0.409
NIR-THE-0d6461ce-5
0.409
MIH-UNI-e573136b-15
0.396
JAR-IMP-ed466bb3-8
0.396
THO-SYG-4e0386bb-1
0.391
MAK-UNK-ec98eaf6-35
0.388
MIH-UNI-e573136b-10
0.385
SAL-INS-1c7a5a55-5
0.366
MIH-UNI-e573136b-11
0.366
REN-UFA-aaaed2d6-1
0.365
DAR-DIA-caba39e3-4
0.363
DAR-DIA-caba39e3-11
0.363
MAK-UNK-702fb7d3-14
0.362
MAK-UNK-702fb7d3-13
0.362
DAR-DIA-caba39e3-5
0.360
DAR-DIA-caba39e3-6
0.360
MAK-UNK-ec98eaf6-36
0.360
JAN-LUN-04aedcc0-6
0.358
SAL-INS-1c7a5a55-1
0.356
SEL-UNI-cd366922-7
0.351
REN-UFA-aaaed2d6-3
0.347
JAR-IMP-ed466bb3-4
0.343
JAR-IMP-ed466bb3-12
0.342
DAR-DIA-caba39e3-13
0.342
JAR-IMP-ed466bb3-3
0.340
REN-UFA-aaaed2d6-5
0.340
REN-UFA-aaaed2d6-6
0.340
REN-UFA-aaaed2d6-4
0.340
NIR-THE-c331be7a-3
0.339
DAR-DIA-caba39e3-12
0.339
WAR-XCH-b72a1bbc-22
0.337
STU-CHA-83dacf15-1
0.327
REN-UFA-aaaed2d6-2
0.327
THO-SYG-4e0386bb-2
0.324
MAK-UNK-7c9d1431-3
0.323
DRR-IMP-dff87f5e-2
0.323
THO-SYG-4e0386bb-3
0.321
RAI-NOV-a7d52b4a-1
0.321
RAI-NOV-a7d52b4a-3
0.320
WAR-XCH-b72a1bbc-13
0.320
RAI-NOV-a7d52b4a-2
0.320
JAN-GHE-1d98ec1c-1
0.319
MAK-UNK-702fb7d3-12
0.318
MAT-POS-7174c657-3
0.316
SAL-INS-1c7a5a55-2
0.315
MIH-UNI-e573136b-4
0.313
MAK-UNK-90d0606b-6
0.311
MAK-UNK-bae89c02-3
0.311
JAR-IMP-ed466bb3-1
0.310
MAK-UNK-702fb7d3-17
0.308
DAR-DIA-fb20be43-9
0.307
RAI-NOV-a7d52b4a-4
0.306
MAK-UNK-69bf97dd-4
0.305
JAR-IMP-ed466bb3-7
0.304
SAD-SAT-1f400d17-9
0.304
MAK-UNK-702fb7d3-1
0.303
HEI-REL-0c990a45-6
0.303
RAI-NOV-2f6a9876-6
0.301
RAI-NOV-a7d52b4a-5
0.299
MAK-UNK-702fb7d3-21
0.298
SAL-INS-1c7a5a55-6
0.297
MAK-UNK-702fb7d3-10
0.294
DAR-DIA-fb20be43-12
0.294
MIH-UNI-6b9ca91a-9
0.294
SAL-INS-1c7a5a55-3
0.294
MAK-UNK-702fb7d3-9
0.293
STU-CHA-7e77017b-1
0.292
DAR-DIA-3e9bbd81-9
0.291
DAR-DIA-3e9bbd81-10
0.290
JAR-IMP-ed466bb3-14
0.288
HAR-NEW-e34cb1ae-5
0.286
SAD-SAT-f25ee457-8
0.286
TAM-UNI-d1c3dd9f-6
0.284
PET-SGC-85e821e4-1
0.283
JOH-MSK-2d8052dc-1
0.282