Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(c3ncccn3)S(=O)(=O)C(F)(F)F)cc2F)CC1 |
MW: | 499.05 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 86.71 |
cLogP: | 2.63 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Trifluoromethyl sulfinyls
N,N-Dialkyl aniline derivatives (2)
high halogen content (>3)
Hetero_hetero
MED-COV-4280ac29-15
NIM-UNI-310206f0-13
0.707
NIM-UNI-310206f0-14
0.662
NIM-UNI-310206f0-28
0.631
NIM-UNI-310206f0-19
0.624
NIM-UNI-310206f0-23
0.575
NIM-UNI-310206f0-20
0.568
NIM-UNI-310206f0-32
0.561
NIM-UNI-310206f0-26
0.557
NIM-UNI-310206f0-6
0.551
NIM-UNI-310206f0-11
0.541
NIM-UNI-310206f0-18
0.535
NIM-UNI-310206f0-41
0.534
NIM-UNI-310206f0-47
0.533
NIM-UNI-310206f0-24
0.529
NIM-UNI-310206f0-22
0.529
NIM-UNI-310206f0-15
0.523
NIM-UNI-310206f0-43
0.523
NIM-UNI-310206f0-16
0.516
NIM-UNI-310206f0-5
0.506
NIM-UNI-310206f0-17
0.505
NIM-UNI-310206f0-25
0.482
NIM-UNI-310206f0-21
0.474
NIM-UNI-310206f0-49
0.465
NIM-UNI-310206f0-55
0.464
NIM-UNI-310206f0-27
0.462
NIM-UNI-310206f0-36
0.460
NIM-UNI-310206f0-29
0.458
NIM-UNI-310206f0-1
0.456
NIM-UNI-310206f0-37
0.448
NIM-UNI-310206f0-4
0.444
NIM-UNI-310206f0-3
0.443
NIM-UNI-310206f0-7
0.443
NIM-UNI-310206f0-46
0.441
NIM-UNI-310206f0-45
0.440
NIM-UNI-310206f0-34
0.436
NIM-UNI-310206f0-42
0.436
NIM-UNI-310206f0-62
0.434
NIM-UNI-310206f0-44
0.430
NIM-UNI-310206f0-63
0.429
NIM-UNI-310206f0-58
0.423
VIK-SYN-bf9c9ac8-7
0.423
VIK-SYN-9a3d118a-4
0.423
MAR-TRE-6a44bbf2-87
0.423
NIM-UNI-310206f0-38
0.419
NIM-UNI-310206f0-52
0.417
NIM-UNI-310206f0-51
0.415
NIM-UNI-310206f0-8
0.415
NIM-UNI-310206f0-48
0.409
NIM-UNI-310206f0-40
0.408
NIM-UNI-310206f0-54
0.404
NIM-UNI-310206f0-9
0.402
NIM-UNI-310206f0-2
0.395
NIM-UNI-310206f0-39
0.392
NIM-UNI-310206f0-35
0.388
NIM-UNI-310206f0-57
0.386
NIM-UNI-310206f0-50
0.385
NIM-UNI-310206f0-56
0.380
NIM-UNI-310206f0-61
0.376
NIM-UNI-310206f0-10
0.375
NIM-UNI-310206f0-59
0.375
NIM-UNI-310206f0-64
0.373
NIM-UNI-310206f0-65
0.373
NIM-UNI-310206f0-60
0.371
SAD-SAT-5b1897b2-10
0.368
NIM-UNI-310206f0-31
0.368
SAD-SAT-5b1897b2-3
0.364
NIM-UNI-310206f0-33
0.361
NIM-UNI-310206f0-53
0.358
NIM-UNI-310206f0-66
0.357
NIL-NON-a189c016-1
0.354
MAT-POS-162a9720-2
0.354
MAT-POS-162a9720-4
0.342
SAD-SAT-5b1897b2-4
0.342
MAK-UNK-7c9d1431-10
0.337
SAD-SAT-5b1897b2-8
0.333
SWA-SYN-d2e6fa14-6
0.333
SWA-SYN-6423ea73-6
0.333
NIM-UNI-310206f0-30
0.333
SAD-SAT-5b1897b2-1
0.329
SAD-SAT-65574d3f-9
0.329
DRR-IMP-38dce17f-5
0.325
IND-SYN-6c8299e8-2
0.318
BEN-DND-76ad4ac9-7
0.318
AAR-POS-d2a4d1df-32
0.317
MAR-TRE-6a44bbf2-4
0.317
LON-WEI-8f408cad-2
0.317
DRR-IMP-38dce17f-2
0.313
BEN-DND-03406596-10
0.313
LON-WEI-8f408cad-4
0.313
AAR-POS-d2a4d1df-23
0.313
MAR-TRE-6a44bbf2-18
0.313
MAK-UNK-849bee6c-5
0.313
DRR-IMP-dff87f5e-6
0.310
DRR-IMP-dff87f5e-5
0.310
MAR-TRE-6a44bbf2-8
0.310
AAR-POS-d2a4d1df-34
0.310
DRR-IMP-dff87f5e-8
0.306
MAR-TRE-6a44bbf2-32
0.306
AHN-SAT-de2502ba-15
0.306
ABB-MCD-f8003a30-1
0.306