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ACROSORGANICS-ZINC05224354

 MMsINC code: MMs00018729
Type: Neutral
Formula: C2H6O2
SMILES:   OCCO
InChI:   InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.0852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 62.068 g/mol  logS: 0.81454  SlogP: -1.029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187692  Sterimol/B1: 1.48521  Sterimol/B2: 2.58001  Sterimol/B3: 2.93924
  Sterimol/B4: 3.82729  Sterimol/L: 7.26645 
 
 Surface and Volume Properties
  Accessible surface: 212.867  Positive charged surface: 173.196  Negative charged surface: 39.6713  Volume: 62.5
  Hydrophobic surface: 107.269  Hydrophilic surface: 105.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.