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NCID-ZINC01601919

 MMsINC code: MMs02254775
Type: Neutral
Formula: C19H14O3
SMILES:   OC(=O)c1ccc2c(cccc2)c1C(=O)c1ccc(cc1)C
InChI:   InChI=1/C19H14O3/c1-12-6-8-14(9-7-12)18(20)17-15-5-3-2-4-13(15)10-11-16(17)19(21)22/h2-11H,1H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.6719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.318 g/mol  logS: -5.77889  SlogP: 4.07742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145601  Sterimol/B1: 2.59185  Sterimol/B2: 4.35204  Sterimol/B3: 5.49795
  Sterimol/B4: 7.23303  Sterimol/L: 13.7047 
 
 Surface and Volume Properties
  Accessible surface: 503.711  Positive charged surface: 270.865  Negative charged surface: 225.957  Volume: 277.625
  Hydrophobic surface: 400.573  Hydrophilic surface: 103.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02254776
NCID-ZINC01601919