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NCID-ZINC01632921

 MMsINC code: MMs02277362
Type: Neutral
Formula: C20H16O3
SMILES:   OC(=O)c1c(cccc1C)C(=O)c1cc(cc2c1cccc2)C
InChI:   InChI=1/C20H16O3/c1-12-10-14-7-3-4-8-15(14)17(11-12)19(21)16-9-5-6-13(2)18(16)20(22)23/h3-11H,1-2H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.6798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.345 g/mol  logS: -6.25281  SlogP: 4.38584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158207  Sterimol/B1: 4.52547  Sterimol/B2: 4.52728  Sterimol/B3: 5.22503
  Sterimol/B4: 5.42676  Sterimol/L: 13.595 
 
 Surface and Volume Properties
  Accessible surface: 539.665  Positive charged surface: 287.639  Negative charged surface: 244.182  Volume: 297
  Hydrophobic surface: 443.4  Hydrophilic surface: 96.265
 
 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


MMs02277363
NCID-ZINC01632921