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NCID-ZINC05004106 |
MMsINC code: MMs02426374 |
Type: Neutral Formula: C20H32O8
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Potential Energy Epot(MMFF94)=314.472 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 400.468 g/mol | logS: -1.48022 | SlogP: -0.9262 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.299012 | Sterimol/B1: 2.36912 | Sterimol/B2: 2.52306 | Sterimol/B3: 6.43553 | |||
Sterimol/B4: 7.65644 | Sterimol/L: 12.8744 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 525.906 | Positive charged surface: 360.417 | Negative charged surface: 165.489 | Volume: 356.875 | |||
Hydrophobic surface: 279.768 | Hydrophilic surface: 246.138 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 6 | Hydrogen bond acceptors: 7 | 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: 1 | Oprea's lead like rule: 1 |
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