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NCID-ZINC01601920

 MMsINC code: MMs02254777
Type: Neutral
Formula: C19H14O3
SMILES:   OC(=O)c1c2c(ccc1C(=O)c1cc(ccc1)C)cccc2
InChI:   InChI=1/C19H14O3/c1-12-5-4-7-14(11-12)18(20)16-10-9-13-6-2-3-8-15(13)17(16)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)=83.2412 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: 0.109946  Sterimol/B1: 4.00116  Sterimol/B2: 4.41519  Sterimol/B3: 4.70527
  Sterimol/B4: 4.73977  Sterimol/L: 15.5811 
 
 Surface and Volume Properties
  Accessible surface: 517.639  Positive charged surface: 265.3  Negative charged surface: 242.519  Volume: 278
  Hydrophobic surface: 417.447  Hydrophilic surface: 100.192
 
 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


MMs02254778
NCID-ZINC01601920