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PUBCHEM-ZINC04536218 |
MMsINC code: MMs03131135 |
Type: Neutral Formula: C19H25N8O12P
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Potential Energy Epot(MMFF94)=72.5103 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 588.427 g/mol | logS: -1.48283 | SlogP: -4.896 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0795336 | Sterimol/B1: 3.66769 | Sterimol/B2: 4.13485 | Sterimol/B3: 5.33046 | |||
Sterimol/B4: 9.42421 | Sterimol/L: 18.0075 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 823.06 | Positive charged surface: 555.595 | Negative charged surface: 267.465 | Volume: 455.125 | |||
Hydrophobic surface: 287.003 | Hydrophilic surface: 536.057 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 9 | Hydrogen bond acceptors: 15 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 9 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 3 | Oprea's lead like rule: 0 |
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