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PUBCHEM-ZINC04097907 |
MMsINC code: MMs03090681 |
Type: Neutral Formula: C22H28O7
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Potential Energy Epot(MMFF94)=167.536 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 404.459 g/mol | logS: -2.88729 | SlogP: 1.6088 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.230829 | Sterimol/B1: 2.43087 | Sterimol/B2: 4.08937 | Sterimol/B3: 4.88204 | |||
Sterimol/B4: 9.28141 | Sterimol/L: 13.7684 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 555.245 | Positive charged surface: 355.295 | Negative charged surface: 199.949 | Volume: 366.375 | |||
Hydrophobic surface: 350.377 | Hydrophilic surface: 204.868 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 7 | ||||||
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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