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NCID-ZINC05462296 |
MMsINC code: MMs02464194 |
Type: Ionized Formula: C8H11N4O8P-2
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Potential Energy Epot(MMFF94)=38.1868 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 322.17 g/mol | logS: 0.51282 | SlogP: -5.0641 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0949518 | Sterimol/B1: 3.02731 | Sterimol/B2: 3.88261 | Sterimol/B3: 4.70617 | |||
Sterimol/B4: 4.92229 | Sterimol/L: 15.2317 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 492.576 | Positive charged surface: 255.006 | Negative charged surface: 237.571 | Volume: 232.25 | |||
Hydrophobic surface: 101.654 | Hydrophilic surface: 390.922 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 5 | Hydrogen bond acceptors: 8 | 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: 1 | Oprea's lead like rule: 0 |
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