Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(CN3CC4CC3CN4C(=O)CCl)cc(Cl)cc2c1 |
MW: | 427.05 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 83.71 |
cLogP: | 2.16 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-3e9bbd81-9
0.707
DAR-DIA-3e9bbd81-1
0.625
MAK-UNK-5d2caa6f-6
0.610
DAR-DIA-3e9bbd81-4
0.600
MAK-UNK-bae89c02-3
0.547
SAD-SAT-581007d4-10
0.537
MAK-UNK-bae89c02-4
0.494
DAR-DIA-3e9bbd81-8
0.489
DAN-LON-a5fc619e-8
0.487
MAK-UNK-df1a028e-8
0.474
MAK-UNK-df1a028e-1
0.470
MAK-UNK-df1a028e-6
0.469
MAK-UNK-ec98eaf6-24
0.462
DAR-DIA-fb20be43-12
0.461
DAR-DIA-3e9bbd81-2
0.457
MAK-UNK-ec98eaf6-17
0.456
MAK-UNK-3f402c2b-14
0.453
MAK-UNK-10799360-17
0.452
MAK-UNK-10799360-10
0.450
MAK-UNK-10799360-4
0.443
MAK-UNK-10799360-29
0.434
MAK-UNK-ec98eaf6-14
0.432
MAK-UNK-3f402c2b-3
0.429
MAK-UNK-3f402c2b-22
0.427
MAK-UNK-10799360-23
0.426
MAK-UNK-10799360-6
0.423
MAK-UNK-3f402c2b-16
0.422
MAK-UNK-3f402c2b-26
0.422
MAK-UNK-10799360-12
0.412
MAK-UNK-ec98eaf6-21
0.411
SAD-SAT-581007d4-9
0.407
MAK-UNK-10799360-8
0.406
MAK-UNK-ec98eaf6-22
0.404
MAK-UNK-5d2caa6f-23
0.404
MAK-UNK-10799360-21
0.402
MAK-UNK-10799360-30
0.402
MAK-UNK-3f402c2b-21
0.400
MAK-UNK-10799360-22
0.400
MAK-UNK-ec98eaf6-23
0.396
MAK-UNK-10799360-16
0.392
MAK-UNK-ec98eaf6-16
0.389
MAK-UNK-5d2caa6f-7
0.389
MAK-UNK-ec98eaf6-7
0.388
MAK-UNK-10799360-20
0.380
MAK-UNK-ec98eaf6-47
0.365
MAK-UNK-3f402c2b-15
0.360
MAK-UNK-3e0761f8-10
0.357
MAK-UNK-10799360-36
0.356
DAR-DIA-fb20be43-9
0.354
MAK-UNK-ec98eaf6-36
0.354
MAK-UNK-ec98eaf6-10
0.354
MAK-UNK-ec98eaf6-35
0.354
HYO-UNK-50298ba0-1
0.352
MAK-UNK-90d0606b-1
0.351
MAK-UNK-ec98eaf6-57
0.350
MAK-UNK-10799360-19
0.346
MAK-UNK-ec98eaf6-25
0.345
MAK-UNK-ec98eaf6-11
0.343
MAK-UNK-ec98eaf6-28
0.343
MAK-UNK-3f402c2b-5
0.341
MAK-UNK-ec98eaf6-13
0.341
MAK-UNK-ec98eaf6-2
0.340
MAK-UNK-10799360-32
0.339
MAK-UNK-ec98eaf6-4
0.337
DAR-DIA-3e9bbd81-3
0.330
MAK-UNK-ec98eaf6-6
0.330
MAK-UNK-90d0606b-7
0.330
PEI-IMP-e4a008a2-1
0.330
DAR-DIA-caba39e3-10
0.327
MAK-UNK-3f402c2b-2
0.323
MAK-UNK-ec98eaf6-1
0.320
AHN-SAT-721e3e40-1
0.320
MAK-UNK-3f402c2b-24
0.319
MAK-UNK-3f402c2b-1
0.319
MAK-UNK-ec98eaf6-19
0.317
MAK-UNK-ec98eaf6-20
0.316
MAK-UNK-3f402c2b-29
0.316
DAR-DIA-3e9bbd81-5
0.314
MAK-UNK-3f402c2b-13
0.312
MAK-UNK-3f402c2b-12
0.309
MAK-UNK-3f402c2b-9
0.308
MAK-UNK-3f402c2b-25
0.307
MAK-UNK-ec98eaf6-3
0.306
MAK-UNK-3f402c2b-17
0.305
MAK-UNK-90d0606b-6
0.305
MAK-UNK-3f402c2b-27
0.303
MAK-UNK-df1a028e-9
0.303
NIR-THE-0d6461ce-4
0.303
MAK-UNK-ec98eaf6-44
0.302
SEL-UNI-cd366922-7
0.302
MAK-UNK-10799360-35
0.302
MAK-UNK-3f402c2b-11
0.298
MAK-UNK-10799360-14
0.297
MAK-UNK-10799360-11
0.296
JOO-PER-58e158bd-1
0.296
MAK-UNK-3f402c2b-7
0.295
MAK-UNK-3f402c2b-4
0.295
MAK-UNK-10799360-5
0.294
SAD-SAT-3a925b8b-8
0.293
DAR-DIA-fb20be43-8
0.292