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OAKWOOD-ZINC02567211

 MMsINC code: MMs02546313
Type: Neutral
Formula: C9H10O3
SMILES:   O1c2cc(ccc2OC1)CCO
InChI:   InChI=1/C9H10O3/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5,10H,3-4,6H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.5098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.176 g/mol  logS: -1.17247  SlogP: 0.95007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645278  Sterimol/B1: 2.68614  Sterimol/B2: 2.74033  Sterimol/B3: 2.80803
  Sterimol/B4: 4.84687  Sterimol/L: 12.2018 
 
 Surface and Volume Properties
  Accessible surface: 354.943  Positive charged surface: 248.448  Negative charged surface: 106.495  Volume: 156.125
  Hydrophobic surface: 244.79  Hydrophilic surface: 110.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.