Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(CC3CC3)S(=O)(=O)C(F)(F)F)cc2F)CC1 |
MW: | 475.08 |
Fraction sp3: | 0.59 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 60.93 |
cLogP: | 2.92 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Trifluoromethyl sulfinyls
N,N-Dialkyl aniline derivatives (2)
high halogen content (>3)
Hetero_hetero
MED-COV-4280ac29-15
NIM-UNI-310206f0-25
0.714
NIM-UNI-310206f0-45
0.641
NIM-UNI-310206f0-34
0.610
NIM-UNI-310206f0-27
0.602
NIM-UNI-310206f0-29
0.595
NIM-UNI-310206f0-6
0.576
NIM-UNI-310206f0-12
0.557
NIM-UNI-310206f0-37
0.557
NIM-UNI-310206f0-36
0.550
NIM-UNI-310206f0-63
0.530
NIM-UNI-310206f0-48
0.524
NIM-UNI-310206f0-38
0.518
NIM-UNI-310206f0-44
0.512
NIM-UNI-310206f0-51
0.512
NIM-UNI-310206f0-8
0.507
NIM-UNI-310206f0-13
0.506
NIM-UNI-310206f0-46
0.506
NIM-UNI-310206f0-40
0.500
NIM-UNI-310206f0-42
0.500
NIM-UNI-310206f0-35
0.489
NIM-UNI-310206f0-9
0.487
NIM-UNI-310206f0-7
0.480
NIM-UNI-310206f0-54
0.478
NIM-UNI-310206f0-47
0.468
NIM-UNI-310206f0-18
0.449
NIM-UNI-310206f0-31
0.449
NIM-UNI-310206f0-23
0.447
NIM-UNI-310206f0-14
0.444
NIM-UNI-310206f0-4
0.443
NIM-UNI-310206f0-20
0.442
NIM-UNI-310206f0-3
0.442
NIM-UNI-310206f0-28
0.441
NIM-UNI-310206f0-32
0.437
NIM-UNI-310206f0-1
0.436
NIM-UNI-310206f0-55
0.433
NIM-UNI-310206f0-2
0.427
NIM-UNI-310206f0-43
0.424
NIM-UNI-310206f0-11
0.422
NIM-UNI-310206f0-19
0.421
NIM-UNI-310206f0-5
0.415
NIM-UNI-310206f0-22
0.413
NIM-UNI-310206f0-24
0.413
NIM-UNI-310206f0-15
0.409
NIM-UNI-310206f0-16
0.406
NIM-UNI-310206f0-41
0.404
NIM-UNI-310206f0-21
0.386
NIM-UNI-310206f0-17
0.384
NIM-UNI-310206f0-57
0.384
NIM-UNI-310206f0-58
0.381
NIM-UNI-310206f0-62
0.380
NIM-UNI-310206f0-56
0.377
NIM-UNI-310206f0-39
0.376
NIM-UNI-310206f0-60
0.369
NIM-UNI-310206f0-49
0.365
SAD-SAT-5b1897b2-10
0.365
NIM-UNI-310206f0-52
0.364
NIM-UNI-310206f0-33
0.358
NIM-UNI-310206f0-10
0.358
NIM-UNI-310206f0-65
0.358
MAT-POS-162a9720-4
0.356
NIM-UNI-310206f0-53
0.355
MAK-UNK-7c9d1431-10
0.350
MAT-POS-162a9720-2
0.350
NIL-NON-a189c016-1
0.350
NIM-UNI-310206f0-61
0.349
NIM-UNI-310206f0-59
0.348
NIM-UNI-310206f0-50
0.345
NIM-UNI-310206f0-64
0.345
VIK-SYN-bf9c9ac8-7
0.342
MAR-TRE-6a44bbf2-87
0.342
VIK-SYN-9a3d118a-4
0.342
NIM-UNI-310206f0-66
0.342
NIM-UNI-310206f0-30
0.342
SAD-SAT-5b1897b2-4
0.338
MAR-TRE-6a44bbf2-32
0.333
ABB-MCD-f8003a30-1
0.333
IND-SYN-6c8299e8-2
0.329
MAR-TRE-6a44bbf2-18
0.325
BEN-DND-03406596-10
0.325
LON-WEI-8f408cad-4
0.325
AAR-POS-d2a4d1df-23
0.325
SAD-SAT-65574d3f-9
0.325
DRR-IMP-dff87f5e-6
0.321
AHN-SAT-de2502ba-15
0.317
BEN-DND-76ad4ac9-7
0.313
LON-WEI-8f408cad-2
0.312
MAR-TRE-6a44bbf2-4
0.312
AAR-POS-d2a4d1df-32
0.312
JIA-UNI-93b03cae-1
0.312
MAK-UNK-d4768348-8
0.312
SAD-SAT-5b1897b2-5
0.310
KAT-UNK-b2a0d5b1-1
0.310
KAI-MCD-cb49037b-1
0.309
DRR-IMP-38dce17f-2
0.309
KAT-MCD-525c981a-1
0.309
KAT-UNK-48001bce-1
0.309
AAR-POS-0daf6b7e-18
0.308
MAR-TRE-6a44bbf2-8
0.305
DRR-IMP-dff87f5e-5
0.305
AAR-POS-d2a4d1df-34
0.305