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PUBCHEM-ZINC01532629 |
MMsINC code: MMs02813675 |
Type: Ionized Formula: C9H11N2O8P-2
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Potential Energy Epot(MMFF94)=-18.7713 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 306.167 g/mol | logS: -0.20658 | SlogP: -3.6971 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0730622 | Sterimol/B1: 2.71239 | Sterimol/B2: 2.99146 | Sterimol/B3: 3.05324 | |||
Sterimol/B4: 7.29357 | Sterimol/L: 13.2374 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 460.787 | Positive charged surface: 210.607 | Negative charged surface: 250.181 | Volume: 229.125 | |||
Hydrophobic surface: 147.654 | Hydrophilic surface: 313.133 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 3 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 0 |
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