Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)NCCCN2CCCCC2C)c2ccccc2c1=O |
MW: | 398.27 |
Fraction sp3: | 0.57 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 66.37 |
cLogP: | 4.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7875667592 |
MolPort: | MolPort-007-773-138 |
Aliphatic long chain
Filter82_pyridinium
Long aliphatic chain
LON-WEI-4d77710c-60
0.685
MAT-POS-2492181e-6
0.685
LON-WEI-5e7d1b3e-60
0.685
MAT-POS-b5746674-100
0.656
LON-WEI-4d77710c-15
0.656
LON-WEI-5e7d1b3e-15
0.656
MAT-POS-2492181e-7
0.622
MAT-POS-2492181e-11
0.576
MAT-POS-b5746674-109
0.576
LON-WEI-4d77710c-16
0.576
LON-WEI-5e7d1b3e-16
0.576
LON-WEI-4d77710c-27
0.568
LON-WEI-5e7d1b3e-27
0.568
LON-WEI-5e7d1b3e-40
0.558
LON-WEI-4d77710c-40
0.558
MAT-POS-2492181e-12
0.556
LON-WEI-4d77710c-13
0.548
LON-WEI-5e7d1b3e-13
0.548
LON-WEI-5e7d1b3e-17
0.548
MAT-POS-2492181e-4
0.548
LON-WEI-4d77710c-17
0.548
LON-WEI-4d77710c-38
0.535
MAT-POS-b5746674-102
0.535
LON-WEI-5e7d1b3e-38
0.535
LON-WEI-5e7d1b3e-51
0.526
LON-WEI-4d77710c-51
0.526
LON-WEI-4d77710c-48
0.520
LON-WEI-5e7d1b3e-48
0.520
LON-WEI-4d77710c-44
0.516
LON-WEI-5e7d1b3e-44
0.516
LON-WEI-4d77710c-20
0.510
LON-WEI-5e7d1b3e-20
0.510
MAT-POS-2492181e-8
0.485
LON-WEI-5e7d1b3e-42
0.480
LON-WEI-4d77710c-42
0.480
LON-WEI-4d77710c-35
0.477
LON-WEI-5e7d1b3e-35
0.477
MAT-POS-b5746674-108
0.477
LON-WEI-4d77710c-55
0.476
MAT-POS-2492181e-9
0.476
LON-WEI-5e7d1b3e-55
0.476
LON-WEI-5e7d1b3e-28
0.475
LON-WEI-4d77710c-28
0.475
MAT-POS-b5746674-105
0.466
LON-WEI-5e7d1b3e-9
0.463
LON-WEI-4d77710c-9
0.463
LON-WEI-4d77710c-22
0.458
LON-WEI-5e7d1b3e-22
0.458
MAT-POS-af71705c-2
0.455
MAT-POS-b5746674-101
0.455
LON-WEI-5e7d1b3e-34
0.455
LON-WEI-4d77710c-34
0.455
LON-WEI-5e7d1b3e-54
0.455
LON-WEI-4d77710c-54
0.455
MAT-POS-b5746674-107
0.455
LON-WEI-4d77710c-4
0.454
LON-WEI-5e7d1b3e-4
0.454
LON-WEI-5e7d1b3e-43
0.450
LON-WEI-4d77710c-43
0.450
LON-WEI-4d77710c-21
0.449
LON-WEI-5e7d1b3e-21
0.449
LON-WEI-4d77710c-56
0.444
MAT-POS-b5746674-104
0.444
LON-WEI-5e7d1b3e-56
0.444
LON-WEI-4d77710c-30
0.427
LON-WEI-5e7d1b3e-30
0.427
MAT-POS-2492181e-2
0.426
MAT-POS-b5746674-99
0.423
MAT-POS-b5746674-110
0.422
MAT-POS-b5746674-103
0.413
LON-WEI-4d77710c-53
0.409
LON-WEI-5e7d1b3e-53
0.409
LON-WEI-5e7d1b3e-29
0.400
LON-WEI-4d77710c-29
0.400
MAT-POS-b5746674-98
0.396
LON-WEI-5e7d1b3e-7
0.396
LON-WEI-4d77710c-7
0.396
LON-WEI-5e7d1b3e-58
0.393
LON-WEI-4d77710c-58
0.393
MAT-POS-b5746674-106
0.387
MAT-POS-2492181e-3
0.367
LON-WEI-4d77710c-52
0.366
MAT-POS-2492181e-1
0.366
LON-WEI-5e7d1b3e-52
0.366
LON-WEI-4d77710c-31
0.363
MAT-POS-2492181e-5
0.363
LON-WEI-5e7d1b3e-31
0.363
MAT-POS-b5746674-35
0.360
LON-WEI-4d77710c-49
0.333
LON-WEI-5e7d1b3e-49
0.333
LON-WEI-5e7d1b3e-50
0.325
MAT-POS-b5746674-34
0.325
LON-WEI-4d77710c-50
0.325
LON-WEI-5e7d1b3e-1
0.312
LON-WEI-5e7d1b3e-46
0.312
MAT-POS-b5746674-97
0.312
LON-WEI-4d77710c-46
0.312
LON-WEI-4d77710c-1
0.312
MAR-TRE-04c86cea-89
0.303
MAT-POS-af71705c-1
0.297