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ACROSORGANICS-ZINC00388373

 MMsINC code: MMs00006980
Type: Neutral
Formula: C11H16O3
SMILES:   O(C(OCC)OCC)c1ccccc1
InChI:   InChI=1/C11H16O3/c1-3-12-11(13-4-2)14-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.246 g/mol  logS: -1.81145  SlogP: 2.422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150516  Sterimol/B1: 2.54402  Sterimol/B2: 3.61254  Sterimol/B3: 3.75779
  Sterimol/B4: 7.68584  Sterimol/L: 12.6823 
 
 Surface and Volume Properties
  Accessible surface: 450.568  Positive charged surface: 307.722  Negative charged surface: 142.846  Volume: 206.375
  Hydrophobic surface: 386.052  Hydrophilic surface: 64.516
 
 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.