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APOLLO-ZINC02389980

 MMsINC code: MMs00052203
Type: Neutral
Formula: C14H12O
SMILES:   O1CC1(c1ccccc1)c1ccccc1
InChI:   InChI=1/C14H12O/c1-3-7-12(8-4-1)14(11-15-14)13-9-5-2-6-10-13/h1-10H,11H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.4586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.249 g/mol  logS: -3.41782  SlogP: 3.2719  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.127421  Sterimol/B1: 2.42014  Sterimol/B2: 3.26403  Sterimol/B3: 4.55467
  Sterimol/B4: 5.30225  Sterimol/L: 12.0321 
 
 Surface and Volume Properties
  Accessible surface: 406.18  Positive charged surface: 194.515  Negative charged surface: 211.665  Volume: 205.25
  Hydrophobic surface: 383.661  Hydrophilic surface: 22.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.