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NCID-ZINC01596314

 MMsINC code: MMs02250379
Type: Neutral
Formula: C10H16O6
SMILES:   O(C(C(OCC)=O)C)C(=O)C(OC(=O)C)C
InChI:   InChI=1/C10H16O6/c1-5-14-9(12)6(2)16-10(13)7(3)15-8(4)11/h6-7H,5H2,1-4H3/t6-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=29.7417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.232 g/mol  logS: -1.80404  SlogP: 0.4328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.040801  Sterimol/B1: 2.56407  Sterimol/B2: 3.80853  Sterimol/B3: 3.81587
  Sterimol/B4: 4.20857  Sterimol/L: 16.6538 
 
 Surface and Volume Properties
  Accessible surface: 491.641  Positive charged surface: 316.118  Negative charged surface: 175.523  Volume: 218.75
  Hydrophobic surface: 319.301  Hydrophilic surface: 172.34
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.