Molecular Properties | |
SMILES: | COc1ccc(N(c2cc(F)c(N3CCN(C(=O)CCl)CC3)c(F)c2)c2cccc3[nH]ccc23)cc1 |
MW: | 510.16 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 51.81 |
cLogP: | 5.81 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
Filter92_trityl
MED-COV-4280ac29-15
NIM-UNI-310206f0-39
0.753
NIM-UNI-310206f0-61
0.644
NIM-UNI-310206f0-60
0.618
NIM-UNI-310206f0-57
0.610
NIM-UNI-310206f0-55
0.598
NIM-UNI-310206f0-58
0.594
NIM-UNI-310206f0-47
0.588
NIM-UNI-310206f0-11
0.583
NIM-UNI-310206f0-52
0.568
NIM-UNI-310206f0-64
0.564
NIM-UNI-310206f0-53
0.550
NIM-UNI-310206f0-56
0.545
NIM-UNI-310206f0-62
0.545
NIM-UNI-310206f0-50
0.536
NIM-UNI-310206f0-65
0.536
NIM-UNI-310206f0-59
0.535
NIM-UNI-310206f0-66
0.531
NIM-UNI-310206f0-30
0.513
NIM-UNI-310206f0-48
0.490
NIM-UNI-310206f0-10
0.485
NIM-UNI-310206f0-6
0.438
NIM-UNI-310206f0-20
0.437
NIM-UNI-310206f0-15
0.409
NIM-UNI-310206f0-45
0.394
NIM-UNI-310206f0-32
0.393
NIM-UNI-310206f0-14
0.387
NIM-UNI-310206f0-37
0.387
NIM-UNI-310206f0-25
0.385
NIM-UNI-310206f0-31
0.383
NIM-UNI-310206f0-49
0.383
NIM-UNI-310206f0-29
0.379
NIM-UNI-310206f0-7
0.378
NIM-UNI-310206f0-23
0.374
NIM-UNI-310206f0-19
0.371
AAR-POS-0daf6b7e-18
0.370
NIM-UNI-310206f0-13
0.367
NIM-UNI-310206f0-4
0.366
NIM-UNI-310206f0-51
0.363
NIM-UNI-310206f0-12
0.361
NIM-UNI-310206f0-1
0.360
NIM-UNI-310206f0-46
0.360
NIM-UNI-310206f0-26
0.358
NIM-UNI-310206f0-36
0.358
NIM-UNI-310206f0-34
0.357
NIM-UNI-310206f0-41
0.357
NIM-UNI-310206f0-54
0.356
NIM-UNI-310206f0-38
0.354
NIM-UNI-310206f0-22
0.351
NIM-UNI-310206f0-24
0.351
NIM-UNI-310206f0-44
0.351
NIM-UNI-310206f0-3
0.350
NIM-UNI-310206f0-9
0.349
NIM-UNI-310206f0-63
0.348
NIM-UNI-310206f0-43
0.348
NIM-UNI-310206f0-16
0.347
NIM-UNI-310206f0-40
0.347
NIM-UNI-310206f0-8
0.343
NIM-UNI-310206f0-18
0.342
NIM-UNI-310206f0-27
0.342
NIM-UNI-310206f0-17
0.342
NIM-UNI-310206f0-28
0.339
NIM-UNI-310206f0-5
0.333
NIM-UNI-310206f0-35
0.333
NIM-UNI-310206f0-21
0.333
NIM-UNI-310206f0-42
0.333
GIA-UNK-4de5abb1-5
0.321
NIM-UNI-310206f0-2
0.318
MAR-TRE-6a44bbf2-77
0.310
ANT-STE-dbb91f63-2
0.310
MAT-POS-162a9720-4
0.309
SAD-SAT-5b1897b2-5
0.301
ANT-STE-dbb91f63-1
0.300
SAD-SAT-65574d3f-9
0.299
MAK-UNK-7c9d1431-17
0.297
SAD-SAT-5b1897b2-4
0.296
MAT-POS-162a9720-2
0.294
NIL-NON-a189c016-1
0.294
PEI-IMP-ca0b2813-3
0.292
GIA-UNK-b9c616ea-5
0.291
SAD-SAT-5b1897b2-10
0.289
DAR-DIA-fb20be43-7
0.288
GIA-UNK-4de5abb1-2
0.286
NIM-UNI-05f93fcc-15
0.286
PEI-IMP-668afc53-1
0.283
MAR-TRE-6a44bbf2-45
0.278
MAK-UNK-7c9d1431-30
0.278
MAK-UNK-3c359d2a-1
0.277
MAK-UNK-176ca439-4
0.277
GIA-UNK-7337c2f3-4
0.276
MAK-UNK-af83ef51-21
0.276
DRR-IMP-38dce17f-2
0.275
MED-COV-4280ac29-37
0.273
GIA-UNK-7337c2f3-5
0.269
MAR-TRE-6a44bbf2-41
0.267
MED-COV-4280ac29-23
0.266
SIM-SYN-f15aaa3a-1
0.265
MAK-UNK-176ca439-6
0.265
MAK-UNK-69e28b36-1
0.265
AAR-POS-d2a4d1df-24
0.265
SAD-SAT-5b1897b2-8
0.265