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ACROSORGANICS-ZINC00896724

 MMsINC code: MMs00008206
Type: Neutral
Formula: C8H10O
SMILES:   OCc1ccccc1C
InChI:   InChI=1/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.7422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.167 g/mol  logS: -1.62982  SlogP: 1.75372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475206  Sterimol/B1: 2.2176  Sterimol/B2: 2.37954  Sterimol/B3: 2.51215
  Sterimol/B4: 6.23014  Sterimol/L: 9.63865 
 
 Surface and Volume Properties
  Accessible surface: 311.135  Positive charged surface: 194.41  Negative charged surface: 116.725  Volume: 133.625
  Hydrophobic surface: 257.601  Hydrophilic surface: 53.534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.