Molecular Properties | |
SMILES: | CCCN(CCC)CCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 |
MW: | 386.27 |
Fraction sp3: | 0.55 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 66.37 |
cLogP: | 3.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3966078609 |
MolPort: | MolPort-007-773-012 |
Filter82_pyridinium
Long aliphatic chain
MAT-POS-2492181e-3
0.649
MAT-POS-b5746674-102
0.628
LON-WEI-5e7d1b3e-38
0.628
LON-WEI-4d77710c-38
0.628
LON-WEI-4d77710c-17
0.610
LON-WEI-5e7d1b3e-17
0.610
MAT-POS-2492181e-4
0.610
LON-WEI-4d77710c-16
0.602
LON-WEI-5e7d1b3e-16
0.602
MAT-POS-2492181e-11
0.602
MAT-POS-b5746674-109
0.602
MAT-POS-2492181e-7
0.595
LON-WEI-5e7d1b3e-51
0.581
LON-WEI-4d77710c-51
0.581
LON-WEI-4d77710c-40
0.581
LON-WEI-5e7d1b3e-40
0.581
LON-WEI-4d77710c-20
0.580
LON-WEI-5e7d1b3e-20
0.580
MAT-POS-b5746674-100
0.575
LON-WEI-5e7d1b3e-15
0.575
LON-WEI-4d77710c-15
0.575
LON-WEI-5e7d1b3e-44
0.573
LON-WEI-4d77710c-44
0.573
LON-WEI-4d77710c-48
0.573
LON-WEI-5e7d1b3e-48
0.573
LON-WEI-5e7d1b3e-60
0.568
LON-WEI-4d77710c-60
0.568
MAT-POS-2492181e-6
0.568
MAT-POS-2492181e-10
0.556
LON-WEI-5e7d1b3e-13
0.553
LON-WEI-4d77710c-13
0.553
LON-WEI-4d77710c-28
0.539
LON-WEI-5e7d1b3e-28
0.539
LON-WEI-5e7d1b3e-27
0.537
LON-WEI-4d77710c-27
0.537
LON-WEI-4d77710c-9
0.530
LON-WEI-5e7d1b3e-9
0.530
LON-WEI-4d77710c-22
0.524
LON-WEI-5e7d1b3e-22
0.524
LON-WEI-5e7d1b3e-56
0.523
LON-WEI-4d77710c-56
0.523
LON-WEI-5e7d1b3e-55
0.522
LON-WEI-4d77710c-55
0.522
LON-WEI-4d77710c-4
0.518
LON-WEI-5e7d1b3e-4
0.518
LON-WEI-4d77710c-21
0.512
LON-WEI-5e7d1b3e-21
0.512
LON-WEI-4d77710c-43
0.494
LON-WEI-5e7d1b3e-43
0.494
MAT-POS-b5746674-104
0.489
LON-WEI-4d77710c-54
0.484
MAT-POS-b5746674-107
0.484
LON-WEI-5e7d1b3e-30
0.484
LON-WEI-4d77710c-30
0.484
MAT-POS-af71705c-2
0.484
LON-WEI-5e7d1b3e-54
0.484
LON-WEI-4d77710c-35
0.475
LON-WEI-5e7d1b3e-35
0.475
MAT-POS-b5746674-108
0.475
MAT-POS-2492181e-8
0.468
LON-WEI-4d77710c-29
0.464
LON-WEI-5e7d1b3e-29
0.464
LON-WEI-5e7d1b3e-42
0.463
MAT-POS-b5746674-105
0.463
LON-WEI-4d77710c-42
0.463
MAT-POS-b5746674-110
0.462
MAT-POS-2492181e-9
0.458
LON-WEI-5e7d1b3e-34
0.452
MAT-POS-b5746674-101
0.452
LON-WEI-4d77710c-34
0.452
MAT-POS-b5746674-103
0.452
MAT-POS-b5746674-99
0.447
LON-WEI-4d77710c-58
0.440
LON-WEI-5e7d1b3e-58
0.440
MAT-POS-b5746674-106
0.434
LON-WEI-5e7d1b3e-50
0.433
LON-WEI-4d77710c-50
0.433
MAT-POS-b5746674-34
0.433
LON-WEI-4d77710c-53
0.430
LON-WEI-5e7d1b3e-53
0.430
MAT-POS-2492181e-2
0.386
MAT-POS-2492181e-1
0.370
LON-WEI-4d77710c-52
0.370
LON-WEI-5e7d1b3e-52
0.370
LON-WEI-5e7d1b3e-31
0.366
MAT-POS-2492181e-5
0.366
LON-WEI-4d77710c-31
0.366
MAT-POS-b5746674-35
0.362
LON-WEI-5e7d1b3e-47
0.333
LON-WEI-4d77710c-47
0.333
LON-WEI-4d77710c-7
0.333
LON-WEI-5e7d1b3e-7
0.333
LON-WEI-5e7d1b3e-49
0.333
LON-WEI-4d77710c-49
0.333
MAT-POS-b5746674-42
0.333
MAT-POS-b5746674-98
0.333
LON-WEI-5e7d1b3e-1
0.323
LON-WEI-4d77710c-1
0.323
LON-WEI-5e7d1b3e-39
0.320
LON-WEI-4d77710c-39
0.320