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NCID-ZINC05437140 |
MMsINC code: MMs02461718 |
Type: Neutral Formula: C30H48O7
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Potential Energy Epot(MMFF94)=362.3 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 520.707 g/mol | logS: -5.81328 | SlogP: 3.12 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.116648 | Sterimol/B1: 2.89046 | Sterimol/B2: 2.89538 | Sterimol/B3: 5.80704 | |||
Sterimol/B4: 6.78557 | Sterimol/L: 17.3323 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 695.974 | Positive charged surface: 530.617 | Negative charged surface: 165.357 | Volume: 494 | |||
Hydrophobic surface: 385.841 | Hydrophilic surface: 310.133 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 7 | Hydrogen bond acceptors: 7 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 10 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 2 | Oprea's lead like rule: 0 |
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