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PUBCHEM-ZINC04102242 |
MMsINC code: MMs03091744 |
Type: Ionized Formula: C20H26O6-2
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Potential Energy Epot(MMFF94)=123.435 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 362.422 g/mol | logS: -3.09634 | SlogP: -0.7655 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.23304 | Sterimol/B1: 3.48489 | Sterimol/B2: 4.11911 | Sterimol/B3: 4.20453 | |||
Sterimol/B4: 6.68867 | Sterimol/L: 13.1887 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 510.653 | Positive charged surface: 310.782 | Negative charged surface: 199.871 | Volume: 334.875 | |||
Hydrophobic surface: 288.684 | Hydrophilic surface: 221.969 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 4 | Basic groups: 0 | |||
Chiral centers: 8 | ||||||
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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