Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)N2CCCN(Cc3ccccc3F)C2)c2ccccc2c1=O |
MW: | 436.23 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 57.58 |
cLogP: | 4.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6438626216 |
MolPort: | MolPort-007-773-114 |
Order Status | |
Shipped: | 2020-11-17 |
Filter82_pyridinium
LON-WEI-4d77710c-53
1.000
MAT-POS-b5746674-103
0.579
MAT-POS-b5746674-110
0.558
MAT-POS-b5746674-104
0.521
LON-WEI-5e7d1b3e-54
0.515
MAT-POS-b5746674-107
0.515
LON-WEI-4d77710c-54
0.515
MAT-POS-b5746674-101
0.500
LON-WEI-4d77710c-34
0.500
LON-WEI-5e7d1b3e-34
0.500
MAT-POS-b5746674-99
0.495
LON-WEI-4d77710c-27
0.454
LON-WEI-5e7d1b3e-27
0.454
MAT-POS-2492181e-7
0.447
MAT-POS-b5746674-105
0.439
LON-WEI-4d77710c-16
0.437
LON-WEI-5e7d1b3e-16
0.437
MAT-POS-b5746674-109
0.437
MAT-POS-2492181e-11
0.437
MAT-POS-2492181e-9
0.435
MAT-POS-2492181e-12
0.430
LON-WEI-5e7d1b3e-60
0.430
LON-WEI-4d77710c-60
0.430
MAT-POS-2492181e-6
0.430
LON-WEI-5e7d1b3e-13
0.427
LON-WEI-4d77710c-13
0.427
LON-WEI-5e7d1b3e-43
0.423
LON-WEI-4d77710c-43
0.423
MAT-POS-b5746674-100
0.421
LON-WEI-5e7d1b3e-15
0.421
LON-WEI-4d77710c-15
0.421
LON-WEI-5e7d1b3e-9
0.420
LON-WEI-4d77710c-9
0.420
MAT-POS-2492181e-8
0.417
LON-WEI-5e7d1b3e-22
0.416
LON-WEI-4d77710c-22
0.416
MAT-POS-af71705c-2
0.415
LON-WEI-4d77710c-17
0.413
LON-WEI-5e7d1b3e-17
0.413
MAT-POS-2492181e-4
0.413
LON-WEI-4d77710c-42
0.413
LON-WEI-5e7d1b3e-42
0.413
MAT-POS-b5746674-108
0.412
LON-WEI-4d77710c-35
0.412
LON-WEI-5e7d1b3e-35
0.412
LON-WEI-5e7d1b3e-4
0.412
LON-WEI-5e7d1b3e-44
0.412
LON-WEI-4d77710c-4
0.412
LON-WEI-4d77710c-44
0.412
LON-WEI-4d77710c-40
0.411
LON-WEI-5e7d1b3e-40
0.411
MAT-POS-2492181e-10
0.409
LON-WEI-5e7d1b3e-21
0.408
LON-WEI-4d77710c-21
0.408
LON-WEI-4d77710c-28
0.407
LON-WEI-5e7d1b3e-28
0.407
LON-WEI-4d77710c-56
0.404
LON-WEI-5e7d1b3e-56
0.404
LON-WEI-5e7d1b3e-51
0.398
LON-WEI-4d77710c-51
0.398
LON-WEI-5e7d1b3e-48
0.396
LON-WEI-4d77710c-55
0.396
LON-WEI-4d77710c-48
0.396
LON-WEI-5e7d1b3e-55
0.396
LON-WEI-5e7d1b3e-30
0.389
LON-WEI-4d77710c-30
0.389
LON-WEI-4d77710c-20
0.387
LON-WEI-5e7d1b3e-20
0.387
LON-WEI-5e7d1b3e-38
0.384
MAT-POS-b5746674-102
0.384
LON-WEI-4d77710c-38
0.384
LON-WEI-4d77710c-29
0.377
LON-WEI-5e7d1b3e-29
0.377
LON-WEI-5e7d1b3e-58
0.359
LON-WEI-4d77710c-58
0.359
MAT-POS-b5746674-106
0.353
LON-WEI-4d77710c-45
0.330
LON-WEI-5e7d1b3e-45
0.330
MAT-POS-b5746674-36
0.330
MAT-POS-2492181e-2
0.330
LON-WEI-5e7d1b3e-47
0.324
LON-WEI-4d77710c-47
0.324
MAT-POS-b5746674-42
0.324
ALP-POS-3fc1724e-3
0.292
LON-WEI-5e7d1b3e-46
0.281
MAT-POS-b5746674-97
0.281
LON-WEI-4d77710c-46
0.281
LON-WEI-4d77710c-7
0.269
LON-WEI-5e7d1b3e-7
0.269
MAT-POS-b5746674-98
0.269
MAT-POS-2492181e-3
0.269
LON-WEI-4d77710c-39
0.265
LON-WEI-5e7d1b3e-39
0.265
LON-WEI-4d77710c-37
0.263
LON-WEI-5e7d1b3e-37
0.263
MAT-POS-4211dce8-1
0.259
MAT-POS-3b92565d-7
0.259
MAT-POS-2492181e-1
0.259
LON-WEI-5e7d1b3e-52
0.259
LON-WEI-4d77710c-36
0.259