Molecular Properties | |
SMILES: | Cc1cc(S(=O)(=O)N(c2cc(F)c(N3CCN(C(=O)CCl)CC3)c(F)c2)c2cccc3[nH]ccc23)no1 |
MW: | 549.1 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 102.75 |
cLogP: | 4.16 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
Hetero_hetero
MED-COV-4280ac29-15
NIM-UNI-310206f0-55
0.690
NIM-UNI-310206f0-62
0.689
NIM-UNI-310206f0-47
0.680
NIM-UNI-310206f0-58
0.651
NIM-UNI-310206f0-64
0.648
NIM-UNI-310206f0-19
0.602
NIM-UNI-310206f0-57
0.575
NIM-UNI-310206f0-59
0.574
NIM-UNI-310206f0-33
0.568
NIM-UNI-310206f0-39
0.565
NIM-UNI-310206f0-65
0.561
NIM-UNI-310206f0-60
0.555
NIM-UNI-310206f0-61
0.553
NIM-UNI-310206f0-50
0.534
NIM-UNI-310206f0-34
0.528
NIM-UNI-310206f0-53
0.522
NIM-UNI-310206f0-56
0.517
NIM-UNI-310206f0-66
0.504
NIM-UNI-310206f0-30
0.488
NIM-UNI-310206f0-10
0.472
NIM-UNI-310206f0-41
0.434
NIM-UNI-310206f0-13
0.422
NIM-UNI-310206f0-12
0.417
NIM-UNI-310206f0-14
0.416
NIM-UNI-310206f0-51
0.416
NIM-UNI-310206f0-28
0.414
NIM-UNI-310206f0-6
0.411
NIM-UNI-310206f0-25
0.389
NIM-UNI-310206f0-16
0.387
NIM-UNI-310206f0-40
0.387
NIM-UNI-310206f0-11
0.386
NIM-UNI-310206f0-27
0.381
NIM-UNI-310206f0-15
0.376
NIM-UNI-310206f0-49
0.376
NIM-UNI-310206f0-20
0.375
NIM-UNI-310206f0-7
0.369
NIM-UNI-310206f0-23
0.366
NIM-UNI-310206f0-31
0.365
NIM-UNI-310206f0-43
0.364
NIM-UNI-310206f0-46
0.364
NIM-UNI-310206f0-26
0.364
NIM-UNI-310206f0-45
0.362
NIM-UNI-310206f0-48
0.362
NIM-UNI-310206f0-32
0.360
NIM-UNI-310206f0-29
0.358
NIM-UNI-310206f0-44
0.356
NIM-UNI-310206f0-22
0.356
NIM-UNI-310206f0-37
0.354
NIM-UNI-310206f0-1
0.352
NIM-UNI-310206f0-36
0.351
NIM-UNI-310206f0-24
0.345
NIM-UNI-310206f0-3
0.343
NIM-UNI-310206f0-42
0.339
NIM-UNI-310206f0-54
0.339
NIM-UNI-310206f0-38
0.336
NIM-UNI-310206f0-18
0.336
NIM-UNI-310206f0-17
0.336
NIM-UNI-310206f0-4
0.333
NIM-UNI-310206f0-21
0.328
NIM-UNI-310206f0-35
0.328
NIM-UNI-310206f0-5
0.327
NIM-UNI-310206f0-63
0.319
NIM-UNI-310206f0-9
0.319
NIM-UNI-310206f0-2
0.312
NIM-UNI-310206f0-8
0.312
SAD-SAT-5b1897b2-4
0.304
GIA-UNK-b9c616ea-5
0.298
MAT-POS-162a9720-4
0.290
MAT-POS-162a9720-2
0.290
NIL-NON-a189c016-1
0.290
SAD-SAT-5b1897b2-10
0.284
BEN-DND-03406596-10
0.283
LON-WEI-8f408cad-4
0.283
MAR-TRE-6a44bbf2-18
0.283
AAR-POS-d2a4d1df-23
0.283
SAD-SAT-65574d3f-9
0.282
BEN-DND-76ad4ac9-7
0.275
MAK-UNK-7c9d1431-11
0.270
MAR-TRE-6a44bbf2-65
0.270
TAT-ENA-80bfd3e5-43
0.270
AAR-POS-0daf6b7e-18
0.269
BEN-DND-76ad4ac9-8
0.269
MAR-TRE-6a44bbf2-32
0.266
ABB-MCD-f8003a30-1
0.266
MAK-UNK-7c9d1431-10
0.266
IND-SYN-6c8299e8-2
0.265
KAY-MCD-d0fe5261-1
0.264
MAR-TRE-6a44bbf2-58
0.264
DRR-IMP-dff87f5e-1
0.264
AHN-SAT-de2502ba-3
0.264
AAR-POS-d2a4d1df-24
0.262
MAR-TRE-6a44bbf2-4
0.262
LON-WEI-8f408cad-2
0.262
AAR-POS-d2a4d1df-32
0.262
MAK-UNK-72b7ba6b-1
0.261
MAK-UNK-176ca439-5
0.261
DRR-IMP-38dce17f-2
0.259
DRR-IMP-dff87f5e-6
0.257
MAK-UNK-7c9d1431-17
0.257
SWA-SYN-40d44a84-2
0.256