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ACROSORGANICS-ZINC00895934

 MMsINC code: MMs00008180
Type: Neutral
Formula: C8H10O
SMILES:   OCCc1ccccc1
InChI:   InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.8406 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.167 g/mol  logS: -1.21737  SlogP: 1.22137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0911143  Sterimol/B1: 2.27517  Sterimol/B2: 3.1419  Sterimol/B3: 3.61748
  Sterimol/B4: 3.6178  Sterimol/L: 10.8135 
 
 Surface and Volume Properties
  Accessible surface: 319.954  Positive charged surface: 203.091  Negative charged surface: 116.863  Volume: 135
  Hydrophobic surface: 265.593  Hydrophilic surface: 54.361
 
 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.