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CHEMSTAR-ZINC03147211

 MMsINC code: MMs01084170
Type: Neutral
Formula: C20H14O4
SMILES:   OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(O)=O
InChI:   InChI=1/C20H14O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.2738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.328 g/mol  logS: -6.17644  SlogP: 4.417  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.01512e-07  Sterimol/B1: 2.10286  Sterimol/B2: 2.10298  Sterimol/B3: 2.42201
  Sterimol/B4: 4.83965  Sterimol/L: 20.1269 
 
 Surface and Volume Properties
  Accessible surface: 553.871  Positive charged surface: 255.058  Negative charged surface: 276.671  Volume: 302
  Hydrophobic surface: 364.497  Hydrophilic surface: 189.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs01084171
CHEMSTAR-ZINC03147211