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PUBCHEM-ZINC05997970

 MMsINC code: MMs03482005
Type: Neutral
Formula: C8H10O2
SMILES:   Oc1ccccc1COC
InChI:   InChI=1/C8H10O2/c1-10-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.6968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.166 g/mol  logS: -1.13913  SlogP: 1.805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314941  Sterimol/B1: 2.33491  Sterimol/B2: 2.48624  Sterimol/B3: 3.77863
  Sterimol/B4: 4.52458  Sterimol/L: 10.9061 
 
 Surface and Volume Properties
  Accessible surface: 337.517  Positive charged surface: 240.057  Negative charged surface: 97.4603  Volume: 144.5
  Hydrophobic surface: 285.492  Hydrophilic surface: 52.025
 
 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.