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PUBCHEM-ZINC05354075

 MMsINC code: MMs03246371
Type: Neutral
Formula: C14H25NO9
SMILES:   O1C(COC(=O)C(NC(OC(C)(C)C)=O)C)C(O)C(O)C(O)C1O
InChI:   InChI=1/C14H25NO9/c1-6(15-13(21)24-14(2,3)4)11(19)22-5-7-8(16)9(17)10(18)12(20)23-7/h6-10,12,16-18,20H,5H2,1-4H3,(H,15,21)/t6-,7+,8-,9-,10-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=84.6043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.352 g/mol  logS: -0.91899  SlogP: -1.7573  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0377093  Sterimol/B1: 2.87995  Sterimol/B2: 2.9041  Sterimol/B3: 3.88717
  Sterimol/B4: 5.64156  Sterimol/L: 18.8718 
 
 Surface and Volume Properties
  Accessible surface: 613.736  Positive charged surface: 447.273  Negative charged surface: 166.464  Volume: 311.375
  Hydrophobic surface: 301.259  Hydrophilic surface: 312.477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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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Ions/Tautomers related molecules: no related molecules available.