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NCID-ZINC01706933

 MMsINC code: MMs02335340
Type: Neutral
Formula: C10H16O5
SMILES:   O(C(=O)C(C(=O)C(OCC)=O)(C)C)CC
InChI:   InChI=1/C10H16O5/c1-5-14-8(12)7(11)10(3,4)9(13)15-6-2/h5-6H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.5904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.233 g/mol  logS: -1.67811  SlogP: 0.7079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602044  Sterimol/B1: 2.63785  Sterimol/B2: 3.62419  Sterimol/B3: 3.6244
  Sterimol/B4: 4.23489  Sterimol/L: 15.755 
 
 Surface and Volume Properties
  Accessible surface: 456.478  Positive charged surface: 315.645  Negative charged surface: 140.833  Volume: 209
  Hydrophobic surface: 296.836  Hydrophilic surface: 159.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.