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PUBCHEM-ZINC05964775

 MMsINC code: MMs03465152
Type: Neutral
Formula: C13H24O10
SMILES:   O1C(CO)C(O)C(O)C(O)C1OCCC(O)(O)COC(=O)CC
InChI:   InChI=1/C13H24O10/c1-2-8(15)22-6-13(19,20)3-4-21-12-11(18)10(17)9(16)7(5-14)23-12/h7,9-12,14,16-20H,2-6H2,1H3/t7-,9-,10+,11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=78.111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.325 g/mol  logS: 0.43482  SlogP: -3.1729  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0286926  Sterimol/B1: 2.63049  Sterimol/B2: 3.74918  Sterimol/B3: 4.87043
  Sterimol/B4: 5.5326  Sterimol/L: 19.3143 
 
 Surface and Volume Properties
  Accessible surface: 609.611  Positive charged surface: 450.346  Negative charged surface: 159.265  Volume: 298.25
  Hydrophobic surface: 296.265  Hydrophilic surface: 313.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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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Ions/Tautomers related molecules: no related molecules available.