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CHEMDIV-ZINC01663877

 MMsINC code: MMs00867454
Type: Neutral
Formula: C15H14O2
SMILES:   OC(=O)C(Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C15H14O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,16,17)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.0939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.275 g/mol  logS: -3.11968  SlogP: 3.09747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239144  Sterimol/B1: 3.36168  Sterimol/B2: 3.71717  Sterimol/B3: 4.33686
  Sterimol/B4: 5.58229  Sterimol/L: 10.6881 
 
 Surface and Volume Properties
  Accessible surface: 433.464  Positive charged surface: 252.877  Negative charged surface: 180.587  Volume: 232.625
  Hydrophobic surface: 347.518  Hydrophilic surface: 85.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00867455
CHEMDIV-ZINC01663877