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ACROSORGANICS-ZINC01591817

 MMsINC code: MMs00009675
Type: Neutral
Formula: C3H8O2
SMILES:   O(CCO)C
InChI:   InChI=1/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.1456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 76.095 g/mol  logS: 0.46936  SlogP: -0.3749  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114581  Sterimol/B1: 2.51457  Sterimol/B2: 2.68777  Sterimol/B3: 2.85281
  Sterimol/B4: 3.27879  Sterimol/L: 8.3878 
 
 Surface and Volume Properties
  Accessible surface: 249.396  Positive charged surface: 220.85  Negative charged surface: 28.5462  Volume: 81.75
  Hydrophobic surface: 187.925  Hydrophilic surface: 61.471
 
 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.