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PUBCHEM-ZINC05764373 |
MMsINC code: MMs03377874 |
Type: Neutral Formula: C23H32O7
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Potential Energy Epot(MMFF94)=163.237 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 420.502 g/mol | logS: -1.91315 | SlogP: 0.869 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.204714 | Sterimol/B1: 2.91008 | Sterimol/B2: 3.08778 | Sterimol/B3: 5.4107 | |||
Sterimol/B4: 6.11169 | Sterimol/L: 15.5907 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 562.705 | Positive charged surface: 389.226 | Negative charged surface: 173.479 | Volume: 382.125 | |||
Hydrophobic surface: 311.434 | Hydrophilic surface: 251.271 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | 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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