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NCID-ZINC01686249

 MMsINC code: MMs02319210
Type: Neutral
Formula: C11H13NO2
SMILES:   O(C)c1cc2cc([nH]c2cc1OC)C
InChI:   InChI=1/C11H13NO2/c1-7-4-8-5-10(13-2)11(14-3)6-9(8)12-7/h4-6,12H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.1336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.23 g/mol  logS: -2.08893  SlogP: 2.49352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0233462  Sterimol/B1: 2.37709  Sterimol/B2: 2.512  Sterimol/B3: 4.76945
  Sterimol/B4: 4.7727  Sterimol/L: 11.6548 
 
 Surface and Volume Properties
  Accessible surface: 411.891  Positive charged surface: 306.109  Negative charged surface: 100.218  Volume: 192.25
  Hydrophobic surface: 365.662  Hydrophilic surface: 46.229
 
 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.