![]() |
![]() |
|
![]() |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
AURORAFEINCHEMIE-ZINC04085598 |
MMsINC code: MMs00468159 |
Type: Ionized Formula: C20H33O6-
|
![]() |
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=87.6306 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 369.478 g/mol | logS: -2.01955 | SlogP: 0.4699 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.161537 | Sterimol/B1: 2.5201 | Sterimol/B2: 4.03349 | Sterimol/B3: 4.03991 | |||
Sterimol/B4: 8.16009 | Sterimol/L: 14.2975 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 534.719 | Positive charged surface: 371.468 | Negative charged surface: 163.251 | Volume: 358.375 | |||
Hydrophobic surface: 326.791 | Hydrophilic surface: 207.928 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | Acid groups: 2 | Basic groups: 0 | |||
Chiral centers: 7 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
|