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CHEMDIV-ZINC03901899 |
MMsINC code: MMs00918406 |
Type: Neutral Formula: C10H13N5O6
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Potential Energy Epot(MMFF94)=67.3114 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 299.243 g/mol | logS: -0.65535 | SlogP: -3.9358 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0904182 | Sterimol/B1: 3.58036 | Sterimol/B2: 3.86132 | Sterimol/B3: 3.94782 | |||
Sterimol/B4: 4.82173 | Sterimol/L: 13.6789 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 465.979 | Positive charged surface: 349.167 | Negative charged surface: 116.813 | Volume: 232.5 | |||
Hydrophobic surface: 106.798 | Hydrophilic surface: 359.181 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 6 | Hydrogen bond acceptors: 7 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 2 | Oprea's lead like rule: 0 |
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