Search | Help | MolPaint | Roadmap | Credits | Feedback |
PUBCHEM-ZINC06068026 |
MMsINC code: MMs03520989 |
Type: Neutral Formula: C21H28O6
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=162.392 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 376.449 g/mol | logS: -2.64554 | SlogP: 0.5284 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.138785 | Sterimol/B1: 2.38806 | Sterimol/B2: 4.77322 | Sterimol/B3: 4.80637 | |||
Sterimol/B4: 5.04148 | Sterimol/L: 15.5395 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 549.265 | Positive charged surface: 362.281 | Negative charged surface: 186.984 | Volume: 347 | |||
Hydrophobic surface: 297.863 | Hydrophilic surface: 251.402 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 8 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
|