Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(c3cccc4[nH]ccc34)S(=O)(=O)C(F)(F)F)cc2F)CC1 |
MW: | 536.07 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 76.72 |
cLogP: | 4.32 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Trifluoromethyl sulfinyls
N,N-Dialkyl aniline derivatives (2)
high halogen content (>3)
Hetero_hetero
MED-COV-4280ac29-15
NIM-UNI-310206f0-55
0.764
NIM-UNI-310206f0-58
0.716
NIM-UNI-310206f0-62
0.687
NIM-UNI-310206f0-52
0.680
NIM-UNI-310206f0-57
0.632
NIM-UNI-310206f0-39
0.619
NIM-UNI-310206f0-60
0.606
NIM-UNI-310206f0-33
0.588
NIM-UNI-310206f0-53
0.583
NIM-UNI-310206f0-65
0.581
NIM-UNI-310206f0-56
0.577
NIM-UNI-310206f0-61
0.571
NIM-UNI-310206f0-50
0.566
NIM-UNI-310206f0-64
0.566
NIM-UNI-310206f0-59
0.565
NIM-UNI-310206f0-66
0.561
NIM-UNI-310206f0-30
0.541
NIM-UNI-310206f0-12
0.533
NIM-UNI-310206f0-10
0.531
NIM-UNI-310206f0-26
0.468
NIM-UNI-310206f0-13
0.459
NIM-UNI-310206f0-6
0.452
NIM-UNI-310206f0-14
0.437
NIM-UNI-310206f0-28
0.434
NIM-UNI-310206f0-25
0.423
NIM-UNI-310206f0-19
0.417
NIM-UNI-310206f0-31
0.404
NIM-UNI-310206f0-49
0.404
NIM-UNI-310206f0-27
0.398
NIM-UNI-310206f0-20
0.392
NIM-UNI-310206f0-45
0.390
NIM-UNI-310206f0-29
0.388
NIM-UNI-310206f0-1
0.383
NIM-UNI-310206f0-23
0.382
NIM-UNI-310206f0-37
0.382
NIM-UNI-310206f0-46
0.380
NIM-UNI-310206f0-43
0.380
NIM-UNI-310206f0-36
0.379
NIM-UNI-310206f0-11
0.377
NIM-UNI-310206f0-34
0.376
NIM-UNI-310206f0-4
0.375
NIM-UNI-310206f0-54
0.375
NIM-UNI-310206f0-32
0.375
NIM-UNI-310206f0-38
0.374
NIM-UNI-310206f0-7
0.372
NIM-UNI-310206f0-3
0.372
NIM-UNI-310206f0-22
0.370
NIM-UNI-310206f0-24
0.370
NIM-UNI-310206f0-15
0.367
NIM-UNI-310206f0-16
0.366
NIM-UNI-310206f0-40
0.366
NIM-UNI-310206f0-48
0.364
NIM-UNI-310206f0-41
0.364
NIM-UNI-310206f0-35
0.362
NIM-UNI-310206f0-18
0.361
NIM-UNI-310206f0-17
0.360
NIM-UNI-310206f0-44
0.358
NIM-UNI-310206f0-63
0.355
NIM-UNI-310206f0-5
0.354
NIM-UNI-310206f0-42
0.351
NIM-UNI-310206f0-8
0.351
NIM-UNI-310206f0-21
0.350
NIM-UNI-310206f0-51
0.345
NIM-UNI-310206f0-9
0.343
NIM-UNI-310206f0-2
0.337
MAT-POS-162a9720-4
0.330
MAT-POS-162a9720-2
0.326
NIL-NON-a189c016-1
0.326
SAD-SAT-5b1897b2-10
0.322
SAD-SAT-5b1897b2-4
0.315
BEN-DND-03406596-10
0.305
MAR-TRE-6a44bbf2-18
0.305
LON-WEI-8f408cad-4
0.305
AAR-POS-d2a4d1df-23
0.305
SAD-SAT-65574d3f-9
0.304
AHN-SAT-de2502ba-15
0.299
IND-SYN-6c8299e8-2
0.297
BEN-DND-76ad4ac9-7
0.296
GIA-UNK-b9c616ea-5
0.295
AAR-POS-d2a4d1df-32
0.295
MAR-TRE-6a44bbf2-4
0.295
LON-WEI-8f408cad-2
0.295
DRR-IMP-38dce17f-2
0.292
GIA-UNK-7337c2f3-13
0.286
MAK-UNK-7c9d1431-10
0.286
MAK-UNK-7c9d1431-4
0.284
GIA-UNK-7337c2f3-12
0.284
TAT-ENA-80bfd3e5-25
0.284
AHN-SAT-de2502ba-3
0.283
AAR-POS-d2a4d1df-24
0.281
DRR-IMP-38dce17f-1
0.277
DUN-NEW-f8ce3686-3
0.276
AAR-POS-d2a4d1df-28
0.276
MAR-TRE-6a44bbf2-8
0.276
AAR-POS-d2a4d1df-34
0.276
DRR-IMP-dff87f5e-5
0.276
DRR-IMP-dff87f5e-6
0.276
MAR-TRE-6a44bbf2-87
0.275
VIK-SYN-bf9c9ac8-7
0.275
VIK-SYN-9a3d118a-4
0.275