Molecular Properties | |
SMILES: | CC(C)S(=O)(=O)N(c1cc(F)c(N2CCN(C(=O)CCl)CC2)c(F)c1)c1cccc2[nH]ccc12 |
MW: | 510.13 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 76.72 |
cLogP: | 4.21 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
Hetero_hetero
MED-COV-4280ac29-15
NIM-UNI-310206f0-47
0.764
NIM-UNI-310206f0-58
0.726
NIM-UNI-310206f0-52
0.690
NIM-UNI-310206f0-62
0.680
NIM-UNI-310206f0-57
0.677
NIM-UNI-310206f0-60
0.616
NIM-UNI-310206f0-39
0.612
NIM-UNI-310206f0-33
0.598
NIM-UNI-310206f0-61
0.581
NIM-UNI-310206f0-53
0.577
NIM-UNI-310206f0-64
0.575
NIM-UNI-310206f0-65
0.575
NIM-UNI-310206f0-56
0.571
NIM-UNI-310206f0-66
0.570
NIM-UNI-310206f0-50
0.561
NIM-UNI-310206f0-59
0.560
NIM-UNI-310206f0-10
0.558
NIM-UNI-310206f0-13
0.548
NIM-UNI-310206f0-30
0.536
NIM-UNI-310206f0-25
0.511
NIM-UNI-310206f0-6
0.464
NIM-UNI-310206f0-12
0.464
NIM-UNI-310206f0-14
0.447
NIM-UNI-310206f0-26
0.433
NIM-UNI-310206f0-28
0.430
NIM-UNI-310206f0-29
0.427
NIM-UNI-310206f0-19
0.426
NIM-UNI-310206f0-23
0.420
NIM-UNI-310206f0-45
0.413
NIM-UNI-310206f0-27
0.407
NIM-UNI-310206f0-20
0.402
NIM-UNI-310206f0-31
0.400
NIM-UNI-310206f0-11
0.400
NIM-UNI-310206f0-49
0.400
NIM-UNI-310206f0-34
0.398
NIM-UNI-310206f0-37
0.392
NIM-UNI-310206f0-32
0.385
NIM-UNI-310206f0-54
0.384
NIM-UNI-310206f0-1
0.379
NIM-UNI-310206f0-15
0.376
NIM-UNI-310206f0-43
0.376
NIM-UNI-310206f0-46
0.376
NIM-UNI-310206f0-36
0.375
NIM-UNI-310206f0-48
0.374
NIM-UNI-310206f0-41
0.373
NIM-UNI-310206f0-4
0.371
NIM-UNI-310206f0-38
0.370
NIM-UNI-310206f0-7
0.368
NIM-UNI-310206f0-17
0.368
NIM-UNI-310206f0-3
0.368
NIM-UNI-310206f0-22
0.367
NIM-UNI-310206f0-24
0.367
NIM-UNI-310206f0-44
0.367
NIM-UNI-310206f0-16
0.363
NIM-UNI-310206f0-40
0.363
NIM-UNI-310206f0-35
0.359
NIM-UNI-310206f0-18
0.358
NIM-UNI-310206f0-51
0.355
NIM-UNI-310206f0-63
0.352
NIM-UNI-310206f0-5
0.350
NIM-UNI-310206f0-42
0.348
NIM-UNI-310206f0-21
0.347
NIM-UNI-310206f0-8
0.347
NIM-UNI-310206f0-2
0.347
NIM-UNI-310206f0-9
0.340
SAD-SAT-5b1897b2-10
0.333
MAT-POS-162a9720-4
0.326
GIA-UNK-b9c616ea-5
0.317
SAD-SAT-65574d3f-9
0.315
SAD-SAT-5b1897b2-4
0.312
NIL-NON-a189c016-1
0.309
MAT-POS-162a9720-2
0.309
BEN-DND-03406596-10
0.302
DRR-IMP-38dce17f-2
0.302
MAR-TRE-6a44bbf2-18
0.302
LON-WEI-8f408cad-4
0.302
AAR-POS-d2a4d1df-23
0.302
MAR-TRE-6a44bbf2-32
0.296
ABB-MCD-f8003a30-1
0.296
GIA-UNK-7337c2f3-13
0.295
GIA-UNK-7337c2f3-5
0.294
BEN-DND-76ad4ac9-7
0.293
AAR-POS-d2a4d1df-24
0.292
MAR-TRE-6a44bbf2-4
0.292
LON-WEI-8f408cad-2
0.292
AAR-POS-d2a4d1df-32
0.292
MED-COV-4280ac29-23
0.291
SAD-SAT-5b1897b2-5
0.290
DUN-NEW-f8ce3686-3
0.286
MAK-UNK-7c9d1431-10
0.283
AHN-SAT-de2502ba-15
0.283
DRR-IMP-dff87f5e-8
0.283
SWA-SYN-40d44a84-2
0.282
MED-COV-4280ac29-18
0.282
PEI-IMP-ca0b2813-3
0.282
GIA-UNK-7337c2f3-8
0.282
MED-COV-4280ac29-15
0.281
AAR-POS-d2a4d1df-35
0.281
DRR-IMP-38dce17f-4
0.281
HYO-UNK-49a60884-1
0.281