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PUBCHEM-ZINC05956173

 MMsINC code: MMs03459522
Type: Neutral
Formula: C10H14O2
SMILES:   Oc1cc(O)c(cc1CC)CC
InChI:   InChI=1/C10H14O2/c1-3-7-5-8(4-2)10(12)6-9(7)11/h5-6,11-12H,3-4H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.8286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.22 g/mol  logS: -2.01236  SlogP: 2.22254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0849182  Sterimol/B1: 2.43863  Sterimol/B2: 2.46375  Sterimol/B3: 3.5276
  Sterimol/B4: 5.4421  Sterimol/L: 11.4613 
 
 Surface and Volume Properties
  Accessible surface: 371.382  Positive charged surface: 244.681  Negative charged surface: 126.701  Volume: 175.625
  Hydrophobic surface: 250.732  Hydrophilic surface: 120.65
 
 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.