Molecular Properties | |
SMILES: | CC(C)Cn1cc(NC(=O)N2CCC3(CC2)OCCO3)c2ccccc2c1=O |
MW: | 385.2 |
Fraction sp3: | 0.52 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 72.8 |
cLogP: | 3.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3051163630 |
MolPort: | MolPort-007-772-996 |
Filter82_pyridinium
MAT-POS-b5746674-110
0.619
LON-WEI-5e7d1b3e-54
0.605
LON-WEI-4d77710c-54
0.605
MAT-POS-b5746674-107
0.605
MAT-POS-b5746674-103
0.586
MAT-POS-b5746674-99
0.580
MAT-POS-b5746674-101
0.551
LON-WEI-5e7d1b3e-34
0.551
LON-WEI-4d77710c-34
0.551
LON-WEI-5e7d1b3e-53
0.521
LON-WEI-4d77710c-53
0.521
LON-WEI-4d77710c-13
0.517
LON-WEI-5e7d1b3e-13
0.517
LON-WEI-4d77710c-9
0.512
LON-WEI-5e7d1b3e-9
0.512
MAT-POS-b5746674-109
0.511
MAT-POS-2492181e-11
0.511
LON-WEI-5e7d1b3e-16
0.511
LON-WEI-4d77710c-16
0.511
LON-WEI-4d77710c-27
0.500
LON-WEI-4d77710c-44
0.500
LON-WEI-5e7d1b3e-44
0.500
LON-WEI-5e7d1b3e-27
0.500
MAT-POS-2492181e-12
0.489
MAT-POS-af71705c-2
0.484
MAT-POS-2492181e-7
0.473
LON-WEI-4d77710c-22
0.472
LON-WEI-5e7d1b3e-22
0.472
LON-WEI-5e7d1b3e-4
0.467
LON-WEI-4d77710c-4
0.467
MAT-POS-b5746674-105
0.464
LON-WEI-4d77710c-51
0.463
LON-WEI-5e7d1b3e-51
0.463
LON-WEI-5e7d1b3e-43
0.462
LON-WEI-4d77710c-43
0.462
LON-WEI-5e7d1b3e-21
0.462
LON-WEI-4d77710c-21
0.462
LON-WEI-5e7d1b3e-55
0.459
MAT-POS-2492181e-9
0.459
LON-WEI-4d77710c-55
0.459
LON-WEI-4d77710c-15
0.458
MAT-POS-b5746674-100
0.458
LON-WEI-5e7d1b3e-15
0.458
LON-WEI-4d77710c-56
0.457
LON-WEI-5e7d1b3e-56
0.457
MAT-POS-2492181e-6
0.454
LON-WEI-4d77710c-60
0.454
LON-WEI-5e7d1b3e-60
0.454
MAT-POS-2492181e-8
0.454
LON-WEI-4d77710c-30
0.453
LON-WEI-5e7d1b3e-30
0.453
LON-WEI-4d77710c-17
0.452
MAT-POS-2492181e-4
0.452
LON-WEI-5e7d1b3e-17
0.452
LON-WEI-4d77710c-40
0.448
LON-WEI-5e7d1b3e-40
0.448
MAT-POS-2492181e-10
0.444
LON-WEI-5e7d1b3e-28
0.443
LON-WEI-4d77710c-28
0.443
LON-WEI-5e7d1b3e-42
0.434
LON-WEI-4d77710c-42
0.434
MAT-POS-b5746674-108
0.433
LON-WEI-5e7d1b3e-35
0.433
LON-WEI-4d77710c-35
0.433
LON-WEI-4d77710c-38
0.430
MAT-POS-b5746674-102
0.430
LON-WEI-5e7d1b3e-38
0.430
LON-WEI-5e7d1b3e-20
0.420
LON-WEI-4d77710c-20
0.420
LON-WEI-5e7d1b3e-48
0.416
LON-WEI-4d77710c-48
0.416
LON-WEI-5e7d1b3e-29
0.408
LON-WEI-4d77710c-29
0.408
LON-WEI-5e7d1b3e-58
0.400
LON-WEI-4d77710c-58
0.400
MAT-POS-b5746674-106
0.394
LON-WEI-4d77710c-45
0.387
LON-WEI-5e7d1b3e-45
0.387
MAT-POS-b5746674-36
0.387
SAD-SAT-65574d3f-5
0.316
MAR-TRE-9c797165-61
0.304
MAT-POS-2492181e-2
0.302
MAR-TRE-9c797165-40
0.301
LON-WEI-5e7d1b3e-39
0.297
LON-WEI-4d77710c-39
0.297
LON-WEI-4d77710c-47
0.296
LON-WEI-5e7d1b3e-47
0.296
MAT-POS-b5746674-42
0.296
MAT-POS-2492181e-3
0.289
LON-WEI-4d77710c-46
0.288
MAT-POS-b5746674-97
0.288
LON-WEI-5e7d1b3e-46
0.288
MAR-TRE-3e4e6814-35
0.286
MAT-POS-af71705c-1
0.284
LON-WEI-5e7d1b3e-49
0.283
LON-WEI-4d77710c-49
0.283
LON-WEI-4d77710c-6
0.276
LON-WEI-5e7d1b3e-6
0.276
LON-WEI-5e7d1b3e-37
0.269
LON-WEI-4d77710c-37
0.269