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NCID-ZINC01596126

 MMsINC code: MMs02250245
Type: Neutral
Formula: C5H10O4
SMILES:   O(C(=O)CO)CCOC
InChI:   InChI=1/C5H10O4/c1-8-2-3-9-5(7)4-6/h6H,2-4H2,1H3

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Potential Energy
Epot(MMFF94)=32.4981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.131 g/mol  logS: 0.06119  SlogP: -0.8317  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0512028  Sterimol/B1: 2.31557  Sterimol/B2: 2.43472  Sterimol/B3: 3.05258
  Sterimol/B4: 4.48669  Sterimol/L: 11.936 
 
 Surface and Volume Properties
  Accessible surface: 338.492  Positive charged surface: 277.674  Negative charged surface: 60.8173  Volume: 126.5
  Hydrophobic surface: 231.607  Hydrophilic surface: 106.885
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.