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PUBCHEM-ZINC06092519

 MMsINC code: MMs03538638
Type: Neutral
Formula: C14H10O5
SMILES:   O(c1cc(ccc1)C(O)=O)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C14H10O5/c15-13(16)9-3-1-5-11(7-9)19-12-6-2-4-10(8-12)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)=56.4548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.229 g/mol  logS: -3.10639  SlogP: 2.8753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160891  Sterimol/B1: 3.2303  Sterimol/B2: 3.62866  Sterimol/B3: 5.10897
  Sterimol/B4: 6.34717  Sterimol/L: 12.8264 
 
 Surface and Volume Properties
  Accessible surface: 466.757  Positive charged surface: 252.932  Negative charged surface: 213.824  Volume: 228.875
  Hydrophobic surface: 273.334  Hydrophilic surface: 193.423
 
 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


MMs03538639
PUBCHEM-ZINC06092519