![]() |
![]() |
|
![]() |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
PUBCHEM-ZINC06467904 |
MMsINC code: MMs03749590 |
Type: Ionized Formula: C18H27O7-
|
![]() |
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=39.945 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 355.407 g/mol | logS: -1.88964 | SlogP: 0.362 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.115245 | Sterimol/B1: 2.02637 | Sterimol/B2: 5.57522 | Sterimol/B3: 5.96042 | |||
Sterimol/B4: 6.60727 | Sterimol/L: 16.7112 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 606.16 | Positive charged surface: 383.105 | Negative charged surface: 223.056 | Volume: 338 | |||
Hydrophobic surface: 384.025 | Hydrophilic surface: 222.135 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 4 | Acid groups: 2 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
|