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PUBCHEM-ZINC01068994 |
MMsINC code: MMs02763714 |
Type: Neutral Formula: C23H32O6
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Potential Energy Epot(MMFF94)=149.493 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 404.503 g/mol | logS: -3.55284 | SlogP: 2.3524 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.245509 | Sterimol/B1: 2.22585 | Sterimol/B2: 2.39691 | Sterimol/B3: 6.45597 | |||
Sterimol/B4: 7.64608 | Sterimol/L: 15.5866 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 567.733 | Positive charged surface: 370.759 | Negative charged surface: 196.974 | Volume: 381.25 | |||
Hydrophobic surface: 390.821 | Hydrophilic surface: 176.912 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | 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 |
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