Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)Nc2ccc(CN3CCC(C)CC3)cc2)c2ccccc2c1=O |
MW: | 446.27 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 66.37 |
cLogP: | 5.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3618685967 |
MolPort: | MolPort-007-773-123 |
Filter82_pyridinium
MAT-POS-2492181e-8
0.705
MAT-POS-2492181e-7
0.622
MAT-POS-b5746674-105
0.606
MAT-POS-2492181e-6
0.596
LON-WEI-4d77710c-60
0.596
LON-WEI-5e7d1b3e-60
0.596
LON-WEI-4d77710c-35
0.580
LON-WEI-5e7d1b3e-35
0.580
MAT-POS-b5746674-108
0.580
LON-WEI-5e7d1b3e-22
0.538
LON-WEI-4d77710c-22
0.538
LON-WEI-5e7d1b3e-27
0.533
LON-WEI-4d77710c-27
0.533
MAT-POS-b5746674-110
0.526
MAT-POS-af71705c-2
0.500
MAT-POS-b5746674-109
0.495
MAT-POS-2492181e-11
0.495
LON-WEI-5e7d1b3e-16
0.495
LON-WEI-4d77710c-16
0.495
LON-WEI-5e7d1b3e-9
0.495
LON-WEI-4d77710c-9
0.495
LON-WEI-4d77710c-55
0.490
LON-WEI-5e7d1b3e-55
0.490
LON-WEI-5e7d1b3e-17
0.485
LON-WEI-4d77710c-17
0.485
MAT-POS-2492181e-4
0.485
LON-WEI-5e7d1b3e-13
0.485
LON-WEI-4d77710c-13
0.485
LON-WEI-4d77710c-4
0.484
LON-WEI-5e7d1b3e-4
0.484
LON-WEI-4d77710c-43
0.480
LON-WEI-5e7d1b3e-43
0.480
LON-WEI-4d77710c-21
0.479
LON-WEI-5e7d1b3e-21
0.479
MAT-POS-2492181e-10
0.476
LON-WEI-5e7d1b3e-56
0.474
LON-WEI-4d77710c-56
0.474
LON-WEI-4d77710c-54
0.470
LON-WEI-5e7d1b3e-54
0.470
MAT-POS-b5746674-107
0.470
LON-WEI-4d77710c-44
0.469
LON-WEI-5e7d1b3e-44
0.469
LON-WEI-4d77710c-42
0.466
LON-WEI-5e7d1b3e-42
0.466
LON-WEI-4d77710c-15
0.461
MAT-POS-b5746674-100
0.461
LON-WEI-5e7d1b3e-15
0.461
MAT-POS-b5746674-104
0.459
MAT-POS-2492181e-12
0.458
LON-WEI-4d77710c-30
0.455
LON-WEI-5e7d1b3e-30
0.455
LON-WEI-5e7d1b3e-40
0.451
LON-WEI-4d77710c-40
0.451
LON-WEI-4d77710c-34
0.441
LON-WEI-5e7d1b3e-34
0.441
MAT-POS-b5746674-101
0.441
LON-WEI-4d77710c-53
0.435
LON-WEI-5e7d1b3e-53
0.435
LON-WEI-4d77710c-28
0.433
LON-WEI-5e7d1b3e-28
0.433
LON-WEI-4d77710c-29
0.426
LON-WEI-5e7d1b3e-29
0.426
MAT-POS-b5746674-99
0.423
LON-WEI-4d77710c-51
0.423
LON-WEI-5e7d1b3e-51
0.423
LON-WEI-4d77710c-48
0.421
LON-WEI-4d77710c-38
0.421
LON-WEI-5e7d1b3e-38
0.421
MAT-POS-b5746674-102
0.421
LON-WEI-5e7d1b3e-48
0.421
LON-WEI-4d77710c-58
0.418
LON-WEI-5e7d1b3e-58
0.418
MAT-POS-b5746674-103
0.413
LON-WEI-4d77710c-20
0.411
LON-WEI-5e7d1b3e-20
0.411
LON-WEI-5e7d1b3e-37
0.369
LON-WEI-4d77710c-37
0.369
MAT-POS-b5746674-106
0.363
LON-WEI-4d77710c-12
0.363
LON-WEI-5e7d1b3e-12
0.363
LON-WEI-5e7d1b3e-6
0.327
LON-WEI-4d77710c-6
0.327
LON-WEI-4d77710c-5
0.317
LON-WEI-5e7d1b3e-5
0.317
MAT-POS-2492181e-2
0.314
LON-WEI-5e7d1b3e-23
0.302
LON-WEI-4d77710c-23
0.302
MAR-TRE-a9136c7b-89
0.301
MAT-POS-2492181e-1
0.290
LON-WEI-4d77710c-52
0.290
LON-WEI-5e7d1b3e-52
0.290
LON-WEI-5e7d1b3e-46
0.288
MAT-POS-b5746674-97
0.288
LON-WEI-4d77710c-46
0.288
LON-WEI-4d77710c-39
0.284
LON-WEI-5e7d1b3e-39
0.284
MAT-POS-af71705c-1
0.284
LON-WEI-4d77710c-18
0.280
LON-WEI-5e7d1b3e-18
0.280
BRU-UNI-418e22dc-2
0.280