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ACROSORGANICS-ZINC00105146

 MMsINC code: MMs00003977
Type: Neutral
Formula: C14H10O4
SMILES:   OC(=O)c1ccccc1-c1ccccc1C(O)=O
InChI:   InChI=1/C14H10O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H,(H,15,16)(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.0222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.23 g/mol  logS: -3.75006  SlogP: 2.75  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22672  Sterimol/B1: 2.27973  Sterimol/B2: 2.81338  Sterimol/B3: 4.47185
  Sterimol/B4: 6.10173  Sterimol/L: 12.1478 
 
 Surface and Volume Properties
  Accessible surface: 424.202  Positive charged surface: 243.397  Negative charged surface: 179.42  Volume: 217
  Hydrophobic surface: 283.23  Hydrophilic surface: 140.972
 
 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


MMs00003978
ACROSORGANICS-ZINC00105146