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PUBCHEM-ZINC04098201 |
MMsINC code: MMs03090849 |
Type: Neutral Formula: C15H18O6
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Potential Energy Epot(MMFF94)=438.99 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 294.303 g/mol | logS: -1.55425 | SlogP: -0.6178 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.452697 | Sterimol/B1: 3.94378 | Sterimol/B2: 4.20898 | Sterimol/B3: 4.24215 | |||
Sterimol/B4: 4.7574 | Sterimol/L: 10.7495 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 413.546 | Positive charged surface: 267.193 | Negative charged surface: 146.353 | Volume: 244.25 | |||
Hydrophobic surface: 258.745 | Hydrophilic surface: 154.801 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | 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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