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PUBCHEM-ZINC06468492

 MMsINC code: MMs03750122
Type: Neutral
Formula: C7H14O4
SMILES:   O1C(C)C(OC)C(O)CC1O
InChI:   InChI=1/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.185 g/mol  logS: -0.02929  SlogP: -0.5105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131318  Sterimol/B1: 2.33278  Sterimol/B2: 2.79284  Sterimol/B3: 3.01289
  Sterimol/B4: 7.07354  Sterimol/L: 10.7584 
 
 Surface and Volume Properties
  Accessible surface: 350.923  Positive charged surface: 281.666  Negative charged surface: 69.2569  Volume: 156.125
  Hydrophobic surface: 221.487  Hydrophilic surface: 129.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.