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NCID-ZINC01569526

 MMsINC code: MMs02230161
Type: Neutral
Formula: C11H10O
SMILES:   Oc1cc2cc(ccc2cc1)C
InChI:   InChI=1/C11H10O/c1-8-2-3-9-4-5-11(12)7-10(9)6-8/h2-7,12H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.4983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.2 g/mol  logS: -3.37473  SlogP: 2.85382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0149543  Sterimol/B1: 2.12148  Sterimol/B2: 2.50727  Sterimol/B3: 3.06642
  Sterimol/B4: 5.1019  Sterimol/L: 11.1751 
 
 Surface and Volume Properties
  Accessible surface: 355.798  Positive charged surface: 197.825  Negative charged surface: 147.353  Volume: 164.75
  Hydrophobic surface: 304.512  Hydrophilic surface: 51.286
 
 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.