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NCID-ZINC05641850 |
MMsINC code: MMs02482557 |
Type: Neutral Formula: C25H32O8
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Potential Energy Epot(MMFF94)=372.851 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 460.523 g/mol | logS: -2.61564 | SlogP: 1.0717 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.20789 | Sterimol/B1: 3.54534 | Sterimol/B2: 5.21169 | Sterimol/B3: 5.79878 | |||
Sterimol/B4: 5.94479 | Sterimol/L: 14.8656 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 608.906 | Positive charged surface: 359.444 | Negative charged surface: 249.462 | Volume: 402.625 | |||
Hydrophobic surface: 297.185 | Hydrophilic surface: 311.721 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 10 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 0 |
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