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PUBCHEM-ZINC02164287

 MMsINC code: MMs02878369
Type: Neutral
Formula: C11H14O2
SMILES:   O1CC1COc1ccc(cc1)CC
InChI:   InChI=1/C11H14O2/c1-2-9-3-5-10(6-4-9)12-7-11-8-13-11/h3-6,11H,2,7-8H2,1H3/t11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.9322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.231 g/mol  logS: -2.71588  SlogP: 2.02657  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0392206  Sterimol/B1: 2.10152  Sterimol/B2: 2.92306  Sterimol/B3: 3.56734
  Sterimol/B4: 4.73554  Sterimol/L: 14.4374 
 
 Surface and Volume Properties
  Accessible surface: 417.088  Positive charged surface: 248  Negative charged surface: 169.088  Volume: 187.25
  Hydrophobic surface: 359.449  Hydrophilic surface: 57.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.