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ACROSORGANICS-ZINC00968147

 MMsINC code: MMs00008384
Type: Neutral
Formula: C11H10O
SMILES:   OCc1cc2c(cc1)cccc2
InChI:   InChI=1/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.8476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.2 g/mol  logS: -3.03378  SlogP: 2.5985  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0254166  Sterimol/B1: 2.38064  Sterimol/B2: 2.74578  Sterimol/B3: 4.13998
  Sterimol/B4: 4.25487  Sterimol/L: 11.7312 
 
 Surface and Volume Properties
  Accessible surface: 364.172  Positive charged surface: 206.274  Negative charged surface: 146.827  Volume: 165.125
  Hydrophobic surface: 299.247  Hydrophilic surface: 64.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.