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NCID-ZINC05731851 |
MMsINC code: MMs02491149 |
Type: Neutral Formula: C10H13N5O4
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Potential Energy Epot(MMFF94)=64.6844 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 267.245 g/mol | logS: -1.19541 | SlogP: -1.6927 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0788845 | Sterimol/B1: 2.78466 | Sterimol/B2: 3.72315 | Sterimol/B3: 4.05096 | |||
Sterimol/B4: 4.17336 | Sterimol/L: 12.993 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 441.773 | Positive charged surface: 311.901 | Negative charged surface: 129.873 | Volume: 220 | |||
Hydrophobic surface: 148.205 | Hydrophilic surface: 293.568 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 6 | Acid groups: 0 | 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: 1 |
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