Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c2ccccc2c1=O |
MW: | 432.25 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 66.37 |
cLogP: | 5.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9729956537 |
MolPort: | MolPort-007-582-843 |
N,N-Dialkyl aniline derivatives (2)
Filter82_pyridinium
MAT-POS-2492181e-9
0.705
MAT-POS-2492181e-7
0.582
MAT-POS-2492181e-6
0.558
LON-WEI-4d77710c-60
0.558
LON-WEI-5e7d1b3e-60
0.558
LON-WEI-4d77710c-22
0.551
LON-WEI-5e7d1b3e-22
0.551
LON-WEI-4d77710c-27
0.545
LON-WEI-5e7d1b3e-27
0.545
MAT-POS-af71705c-2
0.526
LON-WEI-4d77710c-9
0.505
LON-WEI-5e7d1b3e-9
0.505
LON-WEI-4d77710c-13
0.495
LON-WEI-5e7d1b3e-13
0.495
LON-WEI-5e7d1b3e-4
0.495
LON-WEI-4d77710c-4
0.495
MAT-POS-b5746674-105
0.490
MAT-POS-b5746674-109
0.490
MAT-POS-2492181e-11
0.490
LON-WEI-5e7d1b3e-16
0.490
LON-WEI-5e7d1b3e-43
0.490
LON-WEI-4d77710c-16
0.490
LON-WEI-4d77710c-43
0.490
LON-WEI-5e7d1b3e-21
0.489
LON-WEI-4d77710c-21
0.489
MAT-POS-2492181e-10
0.485
LON-WEI-4d77710c-15
0.485
MAT-POS-b5746674-100
0.485
LON-WEI-5e7d1b3e-15
0.485
LON-WEI-4d77710c-56
0.484
LON-WEI-5e7d1b3e-56
0.484
LON-WEI-5e7d1b3e-42
0.475
LON-WEI-4d77710c-42
0.475
MAT-POS-b5746674-108
0.472
LON-WEI-5e7d1b3e-35
0.472
LON-WEI-4d77710c-35
0.472
LON-WEI-5e7d1b3e-55
0.471
LON-WEI-4d77710c-55
0.471
MAT-POS-2492181e-12
0.468
LON-WEI-5e7d1b3e-54
0.465
LON-WEI-4d77710c-54
0.465
LON-WEI-4d77710c-30
0.465
LON-WEI-5e7d1b3e-30
0.465
MAT-POS-b5746674-107
0.465
LON-WEI-4d77710c-17
0.464
MAT-POS-2492181e-4
0.464
LON-WEI-5e7d1b3e-17
0.464
LON-WEI-4d77710c-44
0.463
LON-WEI-5e7d1b3e-44
0.463
MAT-POS-b5746674-110
0.459
MAT-POS-b5746674-104
0.454
MAT-POS-b5746674-101
0.450
LON-WEI-5e7d1b3e-34
0.450
LON-WEI-4d77710c-34
0.450
MAT-POS-b5746674-103
0.450
MAT-POS-b5746674-99
0.446
LON-WEI-4d77710c-40
0.446
LON-WEI-5e7d1b3e-40
0.446
LON-WEI-4d77710c-38
0.442
MAT-POS-b5746674-102
0.442
LON-WEI-5e7d1b3e-38
0.442
LON-WEI-5e7d1b3e-29
0.434
LON-WEI-4d77710c-29
0.434
LON-WEI-4d77710c-51
0.431
LON-WEI-5e7d1b3e-51
0.431
LON-WEI-5e7d1b3e-28
0.427
LON-WEI-4d77710c-28
0.427
LON-WEI-5e7d1b3e-58
0.426
LON-WEI-4d77710c-58
0.426
LON-WEI-5e7d1b3e-20
0.419
LON-WEI-4d77710c-20
0.419
LON-WEI-5e7d1b3e-53
0.417
LON-WEI-4d77710c-53
0.417
LON-WEI-5e7d1b3e-48
0.415
LON-WEI-4d77710c-48
0.415
LON-WEI-5e7d1b3e-37
0.376
LON-WEI-4d77710c-37
0.376
LON-WEI-4d77710c-12
0.370
LON-WEI-5e7d1b3e-12
0.370
MAT-POS-b5746674-106
0.369
LON-WEI-4d77710c-6
0.333
LON-WEI-5e7d1b3e-6
0.333
LON-WEI-5e7d1b3e-5
0.324
LON-WEI-4d77710c-5
0.324
LON-WEI-5e7d1b3e-23
0.308
LON-WEI-4d77710c-23
0.308
MAT-POS-2492181e-2
0.307
LON-WEI-4d77710c-46
0.294
MAT-POS-b5746674-97
0.294
LON-WEI-5e7d1b3e-46
0.294
MAT-POS-af71705c-1
0.290
LON-WEI-4d77710c-18
0.286
LON-WEI-5e7d1b3e-18
0.286
LON-WEI-4d77710c-36
0.283
LON-WEI-5e7d1b3e-36
0.283
LON-WEI-5e7d1b3e-39
0.278
LON-WEI-4d77710c-39
0.278
MAK-UNK-de8f6d00-3
0.277
LON-WEI-4d77710c-47
0.276
LON-WEI-5e7d1b3e-47
0.276