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ACROSORGANICS-ZINC01232431

 MMsINC code: MMs00008681
Type: Neutral
Formula: C14H14O
SMILES:   OC(c1ccccc1C)c1ccccc1
InChI:   InChI=1/C14H14O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14-15H,1H3/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.265 g/mol  logS: -3.39772  SlogP: 3.17222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191008  Sterimol/B1: 2.15582  Sterimol/B2: 3.40589  Sterimol/B3: 3.89511
  Sterimol/B4: 6.31965  Sterimol/L: 11.6956 
 
 Surface and Volume Properties
  Accessible surface: 408.39  Positive charged surface: 218.439  Negative charged surface: 189.952  Volume: 208.625
  Hydrophobic surface: 370.378  Hydrophilic surface: 38.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.