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PUBCHEM-ZINC01845562

 MMsINC code: MMs02823808
Type: Neutral
Formula: C5H10O3
SMILES:   O(C(=O)CCCO)C
InChI:   InChI=1/C5H10O3/c1-8-5(7)3-2-4-6/h6H,2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.23394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.132 g/mol  logS: 0.12014  SlogP: -0.0681  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0498365  Sterimol/B1: 2.37492  Sterimol/B2: 2.37544  Sterimol/B3: 2.74263
  Sterimol/B4: 2.98449  Sterimol/L: 11.7362 
 
 Surface and Volume Properties
  Accessible surface: 312.215  Positive charged surface: 249.728  Negative charged surface: 62.4876  Volume: 120.75
  Hydrophobic surface: 214.437  Hydrophilic surface: 97.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.