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NCID-ZINC04963691 |
MMsINC code: MMs02420337 |
Type: Neutral Formula: C23H28O11
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Potential Energy Epot(MMFF94)=216.534 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 480.466 g/mol | logS: -2.55246 | SlogP: -0.5734 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.113218 | Sterimol/B1: 2.75794 | Sterimol/B2: 3.23875 | Sterimol/B3: 4.84887 | |||
Sterimol/B4: 7.2147 | Sterimol/L: 15.1845 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 618.574 | Positive charged surface: 410.234 | Negative charged surface: 208.34 | Volume: 405.25 | |||
Hydrophobic surface: 339.738 | Hydrophilic surface: 278.836 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 8 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 11 | ||||||
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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