Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2c(F)cc(N(C(=O)NC3CCCC3)c3cccc4[nH]ccc34)cc2F)CC1 |
MW: | 515.19 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.68 |
cLogP: | 5.12 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-57
0.698
NIM-UNI-310206f0-50
0.689
NIM-UNI-310206f0-60
0.670
NIM-UNI-310206f0-59
0.670
NIM-UNI-310206f0-66
0.667
NIM-UNI-310206f0-30
0.642
NIM-UNI-310206f0-53
0.629
NIM-UNI-310206f0-64
0.611
NIM-UNI-310206f0-65
0.611
NIM-UNI-310206f0-18
0.598
NIM-UNI-310206f0-47
0.577
NIM-UNI-310206f0-55
0.571
NIM-UNI-310206f0-39
0.571
NIM-UNI-310206f0-62
0.549
NIM-UNI-310206f0-33
0.545
NIM-UNI-310206f0-61
0.545
NIM-UNI-310206f0-58
0.541
NIM-UNI-310206f0-52
0.517
NIM-UNI-310206f0-63
0.515
NIM-UNI-310206f0-10
0.490
NIM-UNI-310206f0-49
0.448
NIM-UNI-310206f0-22
0.431
NIM-UNI-310206f0-31
0.424
NIM-UNI-310206f0-23
0.419
NIM-UNI-310206f0-17
0.417
NIM-UNI-310206f0-6
0.413
NIM-UNI-310206f0-16
0.412
NIM-UNI-310206f0-32
0.411
NIM-UNI-310206f0-21
0.407
NIM-UNI-310206f0-24
0.405
NIM-UNI-310206f0-43
0.402
NIM-UNI-310206f0-42
0.398
NIM-UNI-310206f0-54
0.397
NIM-UNI-310206f0-28
0.391
NIM-UNI-310206f0-25
0.390
NIM-UNI-310206f0-20
0.389
NIM-UNI-310206f0-41
0.386
NIM-UNI-310206f0-29
0.385
NIM-UNI-310206f0-38
0.384
NIM-UNI-310206f0-35
0.383
NIM-UNI-310206f0-44
0.381
NIM-UNI-310206f0-14
0.381
NIM-UNI-310206f0-12
0.380
NIM-UNI-310206f0-26
0.377
NIM-UNI-310206f0-15
0.377
NIM-UNI-310206f0-36
0.376
NIM-UNI-310206f0-40
0.376
NIM-UNI-310206f0-11
0.375
NIM-UNI-310206f0-13
0.373
NIM-UNI-310206f0-27
0.371
NIM-UNI-310206f0-7
0.370
NIM-UNI-310206f0-37
0.367
NIM-UNI-310206f0-46
0.365
NIM-UNI-310206f0-48
0.363
NIM-UNI-310206f0-45
0.363
NIM-UNI-310206f0-8
0.363
NIM-UNI-310206f0-3
0.356
NIM-UNI-310206f0-9
0.355
NIM-UNI-310206f0-1
0.353
NIM-UNI-310206f0-19
0.353
NIM-UNI-310206f0-5
0.352
NIM-UNI-310206f0-34
0.350
NIM-UNI-310206f0-51
0.345
NIM-UNI-310206f0-4
0.333
MAT-POS-162a9720-4
0.316
NIM-UNI-310206f0-2
0.312
DUN-NEW-f8ce3686-3
0.291
MAT-POS-162a9720-2
0.288
NIL-NON-a189c016-1
0.288
DAN-MCD-7eba3d41-1
0.283
DAN-MCD-881986d8-1
0.283
SAD-SAT-5b1897b2-10
0.283
GIA-UNK-20b63697-6
0.280
SAD-SAT-65574d3f-9
0.280
NAU-LAT-356bd3c2-8
0.278
SAD-SAT-5b1897b2-4
0.277
MAK-UNK-176ca439-7
0.275
GIA-UNK-b9c616ea-5
0.274
MAR-TRE-6a44bbf2-47
0.274
NIR-THE-0d6461ce-1
0.271
DRR-IMP-38dce17f-2
0.269
GIA-UNK-a79af1bc-1
0.267
NIR-THE-0d6461ce-3
0.266
VIK-SYN-9a3d118a-4
0.265
MAR-TRE-6a44bbf2-87
0.265
VIK-SYN-bf9c9ac8-7
0.265
TAM-UNI-d1c3dd9f-12
0.265
GIA-UNK-4de5abb1-3
0.264
BEN-DND-76ad4ac9-7
0.262
MAK-UNK-176ca439-6
0.261
MAK-UNK-69e28b36-1
0.261
AAR-POS-0daf6b7e-5
0.260
SAD-SAT-5b1897b2-8
0.260
MAK-UNK-3d7e3904-1
0.259
LON-WEI-120e5cf5-2
0.258
BEN-DND-03406596-10
0.257
LON-WEI-8f408cad-4
0.257
AAR-POS-d2a4d1df-23
0.257
MAR-TRE-6a44bbf2-18
0.257
GIA-UNK-4de5abb1-4
0.257