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NCID-ZINC01597295

 MMsINC code: MMs02251180
Type: Neutral
Formula: C6H10O5
SMILES:   O(CCOC=O)CCOC=O
InChI:   InChI=1/C6H10O5/c7-5-10-3-1-9-2-4-11-6-8/h5-6H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.8742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.141 g/mol  logS: -0.34208  SlogP: -0.651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0991282  Sterimol/B1: 2.11382  Sterimol/B2: 2.93873  Sterimol/B3: 3.51989
  Sterimol/B4: 4.9579  Sterimol/L: 11.5151 
 
 Surface and Volume Properties
  Accessible surface: 381.409  Positive charged surface: 281.003  Negative charged surface: 100.406  Volume: 146.875
  Hydrophobic surface: 206.753  Hydrophilic surface: 174.656
 
 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.