Molecular Properties | |
SMILES: | N#Cc1cccc(NC(=O)N(c2cc(F)c(N3CCN(C(=O)CCl)CC3)c(F)c2)c2ncccn2)c1 |
MW: | 511.13 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 105.46 |
cLogP: | 3.88 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N,N-Dialkyl aniline derivatives (2)
MED-COV-4280ac29-15
NIM-UNI-310206f0-22
0.744
NIM-UNI-310206f0-35
0.649
NIM-UNI-310206f0-30
0.632
NIM-UNI-310206f0-17
0.602
NIM-UNI-310206f0-16
0.598
NIM-UNI-310206f0-18
0.585
NIM-UNI-310206f0-24
0.562
NIM-UNI-310206f0-32
0.559
NIM-UNI-310206f0-23
0.554
NIM-UNI-310206f0-43
0.541
NIM-UNI-310206f0-41
0.505
NIM-UNI-310206f0-50
0.500
NIM-UNI-310206f0-42
0.490
NIM-UNI-310206f0-49
0.486
NIM-UNI-310206f0-20
0.485
NIM-UNI-310206f0-12
0.474
NIM-UNI-310206f0-11
0.465
NIM-UNI-310206f0-13
0.465
NIM-UNI-310206f0-28
0.453
NIM-UNI-310206f0-15
0.452
NIM-UNI-310206f0-5
0.447
NIM-UNI-310206f0-14
0.442
NIM-UNI-310206f0-6
0.442
NIM-UNI-310206f0-36
0.426
NIM-UNI-310206f0-19
0.422
NIM-UNI-310206f0-1
0.419
NIM-UNI-310206f0-27
0.417
NIM-UNI-310206f0-59
0.413
NIM-UNI-310206f0-56
0.407
NIM-UNI-310206f0-57
0.402
NIM-UNI-310206f0-46
0.398
NIM-UNI-310206f0-66
0.397
NIM-UNI-310206f0-54
0.393
NIM-UNI-310206f0-65
0.388
NIM-UNI-310206f0-63
0.387
NIM-UNI-310206f0-25
0.386
NIM-UNI-310206f0-26
0.386
NIM-UNI-310206f0-40
0.384
DAN-MCD-02570321-1
0.381
NIM-UNI-310206f0-29
0.380
NIM-UNI-310206f0-38
0.380
NIM-UNI-310206f0-3
0.379
NIM-UNI-310206f0-44
0.376
NIM-UNI-310206f0-60
0.376
NIM-UNI-310206f0-53
0.375
NIM-UNI-310206f0-8
0.371
NIM-UNI-310206f0-39
0.371
NIM-UNI-310206f0-45
0.370
NIM-UNI-310206f0-48
0.370
TAT-ENA-80bfd3e5-10
0.370
NIM-UNI-310206f0-34
0.369
MAT-POS-ee51dedd-1
0.368
NIM-UNI-310206f0-64
0.366
NIM-UNI-310206f0-7
0.365
NIM-UNI-310206f0-37
0.362
NIM-UNI-310206f0-10
0.355
NIM-UNI-310206f0-4
0.354
NIM-UNI-310206f0-62
0.352
NIM-UNI-310206f0-51
0.351
DAR-DIA-23aa0b97-4
0.351
NIM-UNI-310206f0-47
0.350
NIM-UNI-310206f0-9
0.350
NIM-UNI-310206f0-55
0.347
NIM-UNI-310206f0-61
0.347
TAM-UNI-d1c3dd9f-16
0.347
DAR-DIA-3e9bbd81-11
0.343
VIK-SYN-bf9c9ac8-7
0.341
MAR-TRE-6a44bbf2-87
0.341
VIK-SYN-9a3d118a-4
0.341
MAR-TRE-6a44bbf2-3
0.340
TAM-UNI-d1c3dd9f-18
0.340
LON-WEI-120e5cf5-19
0.337
DAR-DIA-23aa0b97-3
0.337
NIM-UNI-310206f0-33
0.333
JOR-UNI-61e7b1d5-2
0.333
WAR-XCH-eb7b662f-1
0.333
DAR-DIA-23aa0b97-5
0.333
ANN-UNI-26382800-4
0.333
NIM-UNI-310206f0-58
0.331
NIM-UNI-310206f0-2
0.330
SAD-SAT-5b1897b2-10
0.330
NIM-UNI-310206f0-52
0.328
NIM-UNI-310206f0-31
0.328
MIC-UNK-2744a8e2-6
0.328
MIC-UNK-1e397c67-1
0.327
MIC-UNK-2744a8e2-13
0.327
MAK-UNK-849bee6c-4
0.327
MIC-UNK-2744a8e2-10
0.325
MAK-UNK-849bee6c-5
0.324
DAR-DIA-23aa0b97-18
0.321
MIC-UNK-2744a8e2-2
0.318
MAK-UNK-849bee6c-9
0.318
MIC-UNK-2744a8e2-3
0.316
SAD-SAT-5b1897b2-8
0.316
DAR-DIA-23aa0b97-1
0.315
DAR-DIA-23aa0b97-11
0.315
TRY-UNI-714a760b-24
0.314
MAK-UNK-849bee6c-3
0.313
SAD-SAT-5b1897b2-3
0.312
DAR-DIA-03336633-4
0.311