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PUBCHEM-ZINC01258468

 MMsINC code: MMs02792073
Type: Neutral
Formula: C15H16O
SMILES:   OCc1cc(ccc1)-c1cc(ccc1)CC
InChI:   InChI=1/C15H16O/c1-2-12-5-3-7-14(9-12)15-8-4-6-13(10-15)11-16/h3-10,16H,2,11H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.5545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.292 g/mol  logS: -4.57142  SlogP: 3.67467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379333  Sterimol/B1: 2.16853  Sterimol/B2: 3.43542  Sterimol/B3: 4.01568
  Sterimol/B4: 5.82776  Sterimol/L: 13.9979 
 
 Surface and Volume Properties
  Accessible surface: 459.785  Positive charged surface: 271.453  Negative charged surface: 177.975  Volume: 229.875
  Hydrophobic surface: 372.398  Hydrophilic surface: 87.387
 
 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.