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PUBCHEM-ZINC05763298 |
MMsINC code: MMs03376635 |
Type: Neutral Formula: C21H34O6
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Potential Energy Epot(MMFF94)=199.438 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 382.497 g/mol | logS: -1.2121 | SlogP: 0.6226 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.12569 | Sterimol/B1: 3.73209 | Sterimol/B2: 4.11825 | Sterimol/B3: 4.235 | |||
Sterimol/B4: 5.28477 | Sterimol/L: 16.3579 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 551.521 | Positive charged surface: 411.125 | Negative charged surface: 140.395 | Volume: 360.875 | |||
Hydrophobic surface: 322.301 | Hydrophilic surface: 229.22 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 6 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 9 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 1 |
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