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ACROSORGANICS-ZINC00155160

 MMsINC code: MMs00005066
Type: Neutral
Formula: C13H12O2
SMILES:   Oc1ccccc1Cc1ccccc1O
InChI:   InChI=1/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.0722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.237 g/mol  logS: -2.46391  SlogP: 2.68857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157433  Sterimol/B1: 2.55438  Sterimol/B2: 2.93235  Sterimol/B3: 4.25253
  Sterimol/B4: 5.28788  Sterimol/L: 11.7125 
 
 Surface and Volume Properties
  Accessible surface: 399.731  Positive charged surface: 237.027  Negative charged surface: 162.704  Volume: 201
  Hydrophobic surface: 333.414  Hydrophilic surface: 66.317
 
 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.