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PUBCHEM-ZINC00479376

MMsINC code: MMs02689132

Type: Neutral
Formula: C12H12O2
SMILES:   O(C)c1c2c(cccc2)c(cc1)CO
InChI:   InChI=1/C12H12O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-7,13H,8H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=58.6022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.226 g/mol  logS: -3.08416  SlogP: 2.6071  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0208989  Sterimol/B1: 2.37619  Sterimol/B2: 2.37698  Sterimol/B3: 4.05883
  Sterimol/B4: 6.31446  Sterimol/L: 11.0055 
 
 Surface and Volume Properties
  Accessible surface: 391.989  Positive charged surface: 258.476  Negative charged surface: 122.442  Volume: 189.75
  Hydrophobic surface: 332.082  Hydrophilic surface: 59.907
 
 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.