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ACROSORGANICS-ZINC01706027

 MMsINC code: MMs00011460
Type: Neutral
Formula: C8H10O
SMILES:   Oc1ccccc1CC
InChI:   InChI=1/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.0296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 122.167 g/mol  logS: -1.69862  SlogP: 1.95457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117524  Sterimol/B1: 2.08084  Sterimol/B2: 3.39613  Sterimol/B3: 3.50377
  Sterimol/B4: 4.23437  Sterimol/L: 10.07 
 
 Surface and Volume Properties
  Accessible surface: 313.447  Positive charged surface: 196.104  Negative charged surface: 117.343  Volume: 134.375
  Hydrophobic surface: 250.103  Hydrophilic surface: 63.344
 
 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.