Molecular Properties | |
SMILES: | NS(=O)(=O)C1CCc2ccc(C3CN(C(=O)CCl)Cc4ccccc43)cc2C1 |
MW: | 418.946 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 80.47 |
cLogP: | 2.5453 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAV-CRI-3fe943ba-2
0.808
TAM-UNI-d1c3dd9f-8
0.614
TAM-UNI-d1c3dd9f-3
0.556
NIR-THE-c331be7a-5
0.556
MIH-UNI-e573136b-12
0.556
NIR-THE-c331be7a-1
0.549
AAR-POS-0daf6b7e-14
0.538
NIR-THE-c331be7a-6
0.530
DAR-DIA-caba39e3-1
0.530
DAR-DIA-caba39e3-2
0.523
NIR-THE-c331be7a-2
0.518
NIR-THE-c331be7a-4
0.460
MIH-UNI-e573136b-9
0.460
TAM-UNI-d1c3dd9f-7
0.431
TAM-UNI-d1c3dd9f-10
0.424
DAR-DIA-caba39e3-10
0.423
TAM-UNI-d1c3dd9f-11
0.421
JAR-IMP-ed466bb3-2
0.415
THO-SYG-4e0386bb-1
0.407
IND-SYN-6c8299e8-3
0.406
DAR-DIA-caba39e3-7
0.406
DAR-DIA-caba39e3-8
0.406
DAR-DIA-caba39e3-9
0.404
MIH-UNI-e573136b-15
0.396
JAR-IMP-ed466bb3-8
0.396
DAR-DIA-caba39e3-3
0.392
MIH-UNI-e573136b-10
0.385
MAK-UNK-702fb7d3-13
0.383
MAK-UNK-ec98eaf6-27
0.377
MAK-UNK-702fb7d3-14
0.373
JAR-IMP-ed466bb3-6
0.373
SAL-INS-1c7a5a55-1
0.370
MIH-UNI-e573136b-11
0.366
JAR-IMP-ed466bb3-13
0.354
DAR-DIA-caba39e3-13
0.354
DAR-DIA-caba39e3-11
0.351
DAR-DIA-caba39e3-4
0.351
DAR-DIA-caba39e3-6
0.348
DAR-DIA-caba39e3-5
0.348
JAN-LUN-04aedcc0-6
0.347
SAL-INS-1c7a5a55-5
0.340
NIR-THE-c331be7a-3
0.339
DAR-DIA-caba39e3-12
0.339
MAK-UNK-702fb7d3-12
0.338
JAR-IMP-ed466bb3-12
0.330
JAR-IMP-ed466bb3-4
0.330
SAL-INS-1c7a5a55-2
0.327
JAR-IMP-ed466bb3-3
0.327
REN-UFA-aaaed2d6-5
0.327
STU-CHA-83dacf15-1
0.327
REN-UFA-aaaed2d6-6
0.327
REN-UFA-aaaed2d6-1
0.323
RAI-NOV-a7d52b4a-1
0.321
RAI-NOV-a7d52b4a-3
0.320
REN-UFA-aaaed2d6-3
0.320
SAL-INS-1c7a5a55-3
0.318
SAD-SAT-1f400d17-9
0.317
REN-UFA-aaaed2d6-2
0.313
THO-SYG-4e0386bb-2
0.311
MAK-UNK-90d0606b-6
0.311
MAK-UNK-702fb7d3-17
0.308
RAI-NOV-a7d52b4a-2
0.307
MAK-UNK-702fb7d3-10
0.304
MAT-POS-7174c657-3
0.303
MAK-UNK-702fb7d3-1
0.303
REN-UFA-aaaed2d6-4
0.302
RAI-NOV-2f6a9876-6
0.301
JAN-LUN-04aedcc0-7
0.301
JAR-IMP-ed466bb3-1
0.298
MAK-UNK-702fb7d3-21
0.298
SAL-INS-1c7a5a55-6
0.297
THO-SYG-4e0386bb-3
0.296
MAK-UNK-702fb7d3-9
0.293
DAV-CRI-b7083e67-1
0.292
JAR-IMP-ed466bb3-7
0.291
HEI-REL-0c990a45-6
0.291
STU-CHA-814c6126-1
0.290
SAL-INS-1c7a5a55-4
0.288
WAR-XCH-b72a1bbc-22
0.287
HAR-NEW-e34cb1ae-5
0.286
STU-CHA-09bcc2f6-1
0.286
MAK-UNK-10799360-9
0.283
MAK-UNK-10799360-7
0.282
DOU-UNK-b5326f8f-14
0.280
STU-CHA-7e77017b-1
0.280
MAK-UNK-10799360-11
0.279
MAK-UNK-702fb7d3-19
0.278
JAR-IMP-ed466bb3-14
0.276
JAN-LUN-04aedcc0-5
0.276
RAI-NOV-a7d52b4a-5
0.275
MAK-UNK-702fb7d3-2
0.274
MAK-UNK-702fb7d3-3
0.274
HEI-REL-0c990a45-5
0.272
WAR-XCH-b72a1bbc-13
0.271
DAV-CRI-f4772df7-1
0.270
RAI-NOV-a7d52b4a-4
0.270
DAV-CRI-1c77f7a9-8
0.270
DAV-CRI-f4772df7-3
0.267
SEA-TRI-fac72a44-1
0.267
DAV-CRI-1c77f7a9-1
0.266