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PUBCHEM-ZINC06578890

 MMsINC code: MMs03806286
Type: Neutral
Formula: C7H8O2
SMILES:   OC(O)c1ccccc1
InChI:   InChI=1/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h1-5,7-9H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.139 g/mol  logS: -0.83409  SlogP: 0.7653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0479615  Sterimol/B1: 2.47901  Sterimol/B2: 2.821  Sterimol/B3: 3.60763
  Sterimol/B4: 3.73806  Sterimol/L: 9.62873 
 
 Surface and Volume Properties
  Accessible surface: 301.483  Positive charged surface: 170.437  Negative charged surface: 131.045  Volume: 123.75
  Hydrophobic surface: 207.612  Hydrophilic surface: 93.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.