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PUBCHEM-ZINC06158860

 MMsINC code: MMs03569946
Type: Neutral
Formula: C13H19NO9
SMILES:   O(C(C(OC(=O)C)C(=O)N)C(OC(=O)C)COC(=O)C)C(=O)C
InChI:   InChI=1/C13H19NO9/c1-6(15)20-5-10(21-7(2)16)11(22-8(3)17)12(13(14)19)23-9(4)18/h10-12H,5H2,1-4H3,(H2,14,19)/t10-,11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=45.0232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.293 g/mol  logS: -1.53122  SlogP: -1.1701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.236207  Sterimol/B1: 3.84841  Sterimol/B2: 4.63335  Sterimol/B3: 5.6626
  Sterimol/B4: 6.74685  Sterimol/L: 13.4186 
 
 Surface and Volume Properties
  Accessible surface: 574.858  Positive charged surface: 343.686  Negative charged surface: 231.172  Volume: 290.625
  Hydrophobic surface: 373.835  Hydrophilic surface: 201.023
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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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Ions/Tautomers related molecules: no related molecules available.