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PUBCHEM-ZINC01999266

 MMsINC code: MMs02841742
Type: Neutral
Formula: C10H9NO
SMILES:   Oc1cc(cc2c1nccc2)C
InChI:   InChI=1/C10H9NO/c1-7-5-8-3-2-4-11-10(8)9(12)6-7/h2-6,12H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.6748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.188 g/mol  logS: -2.08539  SlogP: 2.24882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0178531  Sterimol/B1: 2.14039  Sterimol/B2: 2.50281  Sterimol/B3: 3.27263
  Sterimol/B4: 5.53909  Sterimol/L: 10.9005 
 
 Surface and Volume Properties
  Accessible surface: 347.516  Positive charged surface: 218.52  Negative charged surface: 123.686  Volume: 160.375
  Hydrophobic surface: 280.237  Hydrophilic surface: 67.279
 
 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.