Molecular Properties | |
SMILES: | CC(C)C(=O)N(c1cc(F)c(N2CCN(C(=O)CCl)CC2)c(F)c1)c1cccc2[nH]ccc12 |
MW: | 474.16 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 59.65 |
cLogP: | 4.65 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-60
0.736
NIM-UNI-310206f0-53
0.705
NIM-UNI-310206f0-64
0.701
NIM-UNI-310206f0-56
0.698
NIM-UNI-310206f0-55
0.677
NIM-UNI-310206f0-50
0.667
NIM-UNI-310206f0-65
0.667
NIM-UNI-310206f0-59
0.663
NIM-UNI-310206f0-66
0.660
NIM-UNI-310206f0-30
0.650
NIM-UNI-310206f0-47
0.632
NIM-UNI-310206f0-39
0.625
NIM-UNI-310206f0-58
0.620
NIM-UNI-310206f0-33
0.610
NIM-UNI-310206f0-61
0.592
NIM-UNI-310206f0-62
0.581
NIM-UNI-310206f0-52
0.575
NIM-UNI-310206f0-23
0.538
NIM-UNI-310206f0-10
0.537
NIM-UNI-310206f0-29
0.484
NIM-UNI-310206f0-6
0.476
NIM-UNI-310206f0-49
0.472
NIM-UNI-310206f0-25
0.442
NIM-UNI-310206f0-13
0.434
NIM-UNI-310206f0-32
0.434
NIM-UNI-310206f0-31
0.432
NIM-UNI-310206f0-24
0.427
NIM-UNI-310206f0-41
0.419
NIM-UNI-310206f0-18
0.417
NIM-UNI-310206f0-22
0.413
NIM-UNI-310206f0-20
0.410
NIM-UNI-310206f0-43
0.410
NIM-UNI-310206f0-11
0.408
NIM-UNI-310206f0-16
0.407
NIM-UNI-310206f0-21
0.402
NIM-UNI-310206f0-17
0.400
NIM-UNI-310206f0-3
0.391
NIM-UNI-310206f0-38
0.390
NIM-UNI-310206f0-1
0.387
NIM-UNI-310206f0-14
0.387
NIM-UNI-310206f0-37
0.386
NIM-UNI-310206f0-12
0.386
NIM-UNI-310206f0-26
0.384
NIM-UNI-310206f0-15
0.383
NIM-UNI-310206f0-36
0.382
NIM-UNI-310206f0-45
0.381
NIM-UNI-310206f0-48
0.381
NIM-UNI-310206f0-54
0.378
NIM-UNI-310206f0-7
0.376
NIM-UNI-310206f0-27
0.376
NIM-UNI-310206f0-44
0.374
NIM-UNI-310206f0-51
0.374
NIM-UNI-310206f0-28
0.373
NIM-UNI-310206f0-63
0.371
NIM-UNI-310206f0-46
0.370
NIM-UNI-310206f0-19
0.369
NIM-UNI-310206f0-40
0.369
NIM-UNI-310206f0-34
0.367
NIM-UNI-310206f0-35
0.365
NIM-UNI-310206f0-4
0.365
NIM-UNI-310206f0-5
0.357
NIM-UNI-310206f0-42
0.355
NIM-UNI-310206f0-8
0.354
NIM-UNI-310206f0-9
0.347
NIM-UNI-310206f0-2
0.340
MAT-POS-162a9720-4
0.333
SAD-SAT-65574d3f-9
0.322
SAD-SAT-5b1897b2-4
0.319
NIL-NON-a189c016-1
0.316
MAT-POS-162a9720-2
0.316
SAD-SAT-5b1897b2-10
0.311
GIA-UNK-b9c616ea-5
0.311
DRR-IMP-38dce17f-2
0.295
VIK-SYN-9a3d118a-4
0.292
VIK-SYN-bf9c9ac8-7
0.292
MAR-TRE-6a44bbf2-87
0.292
GIA-UNK-7337c2f3-5
0.287
MAR-TRE-6a44bbf2-41
0.286
MED-COV-4280ac29-23
0.284
SAD-SAT-5b1897b2-8
0.284
AAR-POS-d2a4d1df-24
0.284
GIA-UNK-7337c2f3-4
0.283
SAD-SAT-5b1897b2-5
0.283
DAR-DIA-fb20be43-2
0.282
MAR-TRE-6a44bbf2-18
0.281
AAR-POS-d2a4d1df-23
0.281
BEN-DND-03406596-10
0.281
LON-WEI-8f408cad-4
0.281
AAR-POS-0daf6b7e-18
0.280
DUN-NEW-f8ce3686-3
0.279
GIA-UNK-4de5abb1-4
0.279
GIA-UNK-7337c2f3-13
0.276
NIR-THE-0d6461ce-3
0.276
AHN-SAT-de2502ba-15
0.276
GIA-UNK-7337c2f3-8
0.275
MED-COV-4280ac29-18
0.275
JOH-UNI-0e1753c1-3
0.274
HYO-UNK-49a60884-1
0.274
MED-COV-4280ac29-15
0.274
AAR-POS-d2a4d1df-35
0.274