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PUBCHEM-ZINC04097421 |
MMsINC code: MMs03090403 |
Type: Neutral Formula: C13H23NO9
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Potential Energy Epot(MMFF94)=131.685 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 337.325 g/mol | logS: 0.8084 | SlogP: -3.9343 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.262942 | Sterimol/B1: 2.06292 | Sterimol/B2: 4.72403 | Sterimol/B3: 5.30948 | |||
Sterimol/B4: 7.08068 | Sterimol/L: 11.6498 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 510.239 | Positive charged surface: 385.008 | Negative charged surface: 125.231 | Volume: 289.125 | |||
Hydrophobic surface: 236.892 | Hydrophilic surface: 273.347 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 6 | Hydrogen bond acceptors: 10 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 9 | ||||||
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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