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NCID-ZINC05440609 |
MMsINC code: MMs02463313 |
Type: Neutral Formula: C30H40O5
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Potential Energy Epot(MMFF94)=208.097 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 480.645 g/mol | logS: -8.31229 | SlogP: 5.1301 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.271132 | Sterimol/B1: 2.28935 | Sterimol/B2: 3.11778 | Sterimol/B3: 5.84711 | |||
Sterimol/B4: 8.96924 | Sterimol/L: 16.6445 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 678.223 | Positive charged surface: 446.96 | Negative charged surface: 231.263 | Volume: 470.125 | |||
Hydrophobic surface: 438.97 | Hydrophilic surface: 239.253 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 4 | 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: 1 | Oprea's lead like rule: 0 |
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