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CHEMBLOCK-ZINC04784381

 MMsINC code: MMs00579803
Type: Neutral
Formula: C11H11NO2
SMILES:   o1nc(cc1-c1ccc(OC)cc1)C
InChI:   InChI=1/C11H11NO2/c1-8-7-11(14-12-8)9-3-5-10(13-2)6-4-9/h3-7H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.3004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.214 g/mol  logS: -2.79018  SlogP: 2.65862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0108173  Sterimol/B1: 2.37673  Sterimol/B2: 2.4594  Sterimol/B3: 2.51195
  Sterimol/B4: 4.83679  Sterimol/L: 14.48 
 
 Surface and Volume Properties
  Accessible surface: 405.234  Positive charged surface: 248.962  Negative charged surface: 156.273  Volume: 186.625
  Hydrophobic surface: 368.788  Hydrophilic surface: 36.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.