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NCID-ZINC05432260 |
MMsINC code: MMs02461289 |
Type: Neutral Formula: C21H28O7
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Potential Energy Epot(MMFF94)=182.996 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 392.448 g/mol | logS: -2.08719 | SlogP: 1.0105 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.229083 | Sterimol/B1: 2.79574 | Sterimol/B2: 3.99911 | Sterimol/B3: 5.9453 | |||
Sterimol/B4: 6.15942 | Sterimol/L: 13.2973 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 549.445 | Positive charged surface: 376.024 | Negative charged surface: 173.421 | Volume: 352.875 | |||
Hydrophobic surface: 343.122 | Hydrophilic surface: 206.323 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 9 | ||||||
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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