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PUBCHEM-ZINC05732464

 MMsINC code: MMs03363876
Type: Neutral
Formula: C10H10O6
SMILES:   O(C)c1cc(cc(OC)c1C(O)=O)C(O)=O
InChI:   InChI=1/C10H10O6/c1-15-6-3-5(9(11)12)4-7(16-2)8(6)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.5552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.184 g/mol  logS: -1.42444  SlogP: 1.1002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443361  Sterimol/B1: 2.81356  Sterimol/B2: 2.92565  Sterimol/B3: 5.29188
  Sterimol/B4: 5.9388  Sterimol/L: 11.6759 
 
 Surface and Volume Properties
  Accessible surface: 420.01  Positive charged surface: 288.238  Negative charged surface: 131.772  Volume: 190.375
  Hydrophobic surface: 222.266  Hydrophilic surface: 197.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs03363877
PUBCHEM-ZINC05732464