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PUBCHEM-ZINC06411855 |
MMsINC code: MMs03715026 |
Type: Neutral Formula: C11H15N5O2
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Potential Energy Epot(MMFF94)=52.2857 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 249.274 g/mol | logS: -2.63617 | SlogP: 0.3247 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.169177 | Sterimol/B1: 2.47005 | Sterimol/B2: 3.14287 | Sterimol/B3: 4.21635 | |||
Sterimol/B4: 7.3491 | Sterimol/L: 11.5501 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 452.681 | Positive charged surface: 313.823 | Negative charged surface: 138.858 | Volume: 229.5 | |||
Hydrophobic surface: 196.809 | Hydrophilic surface: 255.872 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 6 | Acid groups: 0 | 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: 1 |
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