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CHEMSTAR-ZINC03884565

 MMsINC code: MMs01085851
Type: Neutral
Formula: C15H8O4
SMILES:   O=C1c2c(cccc2C(O)=O)C(=O)c2c1cccc2
InChI:   InChI=1/C15H8O4/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18)19/h1-7H,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.2537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.225 g/mol  logS: -3.8544  SlogP: 2.1602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00976004  Sterimol/B1: 2.52956  Sterimol/B2: 2.82807  Sterimol/B3: 4.6606
  Sterimol/B4: 4.82172  Sterimol/L: 12.5419 
 
 Surface and Volume Properties
  Accessible surface: 426.636  Positive charged surface: 217.695  Negative charged surface: 208.941  Volume: 220.75
  Hydrophobic surface: 282.374  Hydrophilic surface: 144.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01085852
CHEMSTAR-ZINC03884565