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IBS-ZINC00500561

 MMsINC code: MMs01740994
Type: Neutral
Formula: C10H9NO2
SMILES:   Oc1c2nccc(c2ccc1)CO
InChI:   InChI=1/C10H9NO2/c12-6-7-4-5-11-10-8(7)2-1-3-9(10)13/h1-5,12-13H,6H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.8079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.187 g/mol  logS: -1.38249  SlogP: 1.6991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0179025  Sterimol/B1: 2.27445  Sterimol/B2: 2.47451  Sterimol/B3: 2.52257
  Sterimol/B4: 6.84531  Sterimol/L: 10.9931 
 
 Surface and Volume Properties
  Accessible surface: 359.758  Positive charged surface: 237.739  Negative charged surface: 116.483  Volume: 163.125
  Hydrophobic surface: 237.189  Hydrophilic surface: 122.569
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.