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PUBCHEM-ZINC05851207

 MMsINC code: MMs03416839
Type: Neutral
Formula: C5H10O4
SMILES:   O1CC(O)C(O)C(O)C1
InChI:   InChI=1/C5H10O4/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4+,5+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.131 g/mol  logS: 0.7256  SlogP: -1.9007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169632  Sterimol/B1: 2.46919  Sterimol/B2: 2.78645  Sterimol/B3: 2.92226
  Sterimol/B4: 5.19376  Sterimol/L: 9.07136 
 
 Surface and Volume Properties
  Accessible surface: 292.596  Positive charged surface: 226.799  Negative charged surface: 65.7971  Volume: 117.625
  Hydrophobic surface: 140.14  Hydrophilic surface: 152.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.