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NCID-ZINC05808164

 MMsINC code: MMs02498202
Type: Neutral
Formula: C10H6O6
SMILES:   O1c2c(OC(C(O)=O)=C1C(O)=O)cccc2
InChI:   InChI=1/C10H6O6/c11-9(12)7-8(10(13)14)16-6-4-2-1-3-5(6)15-7/h1-4H,(H,11,12)(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.0326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.152 g/mol  logS: -2.9035  SlogP: 0.8386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019953  Sterimol/B1: 2.63471  Sterimol/B2: 3.0458  Sterimol/B3: 3.7731
  Sterimol/B4: 4.65623  Sterimol/L: 11.3302 
 
 Surface and Volume Properties
  Accessible surface: 391.302  Positive charged surface: 208.456  Negative charged surface: 182.846  Volume: 175.375
  Hydrophobic surface: 211.377  Hydrophilic surface: 179.925
 
 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


MMs02498203
NCID-ZINC05808164