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PUBCHEM-ZINC00388574

 MMsINC code: MMs02671134
Type: Neutral
Formula: C7H14O3
SMILES:   O1CCC(OC)(OC)CC1
InChI:   InChI=1/C7H14O3/c1-8-7(9-2)3-5-10-6-4-7/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.9343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.186 g/mol  logS: -0.6268  SlogP: 0.7859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.283878  Sterimol/B1: 2.7569  Sterimol/B2: 3.18  Sterimol/B3: 3.5685
  Sterimol/B4: 4.95215  Sterimol/L: 9.1704 
 
 Surface and Volume Properties
  Accessible surface: 324.781  Positive charged surface: 288.358  Negative charged surface: 36.4233  Volume: 148.75
  Hydrophobic surface: 300.206  Hydrophilic surface: 24.575
 
 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.