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NCID-ZINC05461003 |
MMsINC code: MMs02463858 |
Type: Ionized Formula: C9H11N2O8PS-2
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Potential Energy Epot(MMFF94)=5.84334 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 338.233 g/mol | logS: -0.07941 | SlogP: -3.7257 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0689821 | Sterimol/B1: 2.33514 | Sterimol/B2: 2.80917 | Sterimol/B3: 4.18721 | |||
Sterimol/B4: 5.64369 | Sterimol/L: 16.1008 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 492.674 | Positive charged surface: 232.989 | Negative charged surface: 259.685 | Volume: 243 | |||
Hydrophobic surface: 184.925 | Hydrophilic surface: 307.749 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 6 | Acid groups: 3 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
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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