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NCID-ZINC01678794

 MMsINC code: MMs02313465
Type: Neutral
Formula: C11H14O6
SMILES:   O(C)c1c(C(O)=O)c(OC)cc(OC)c1OC
InChI:   InChI=1/C11H14O6/c1-14-6-5-7(15-2)9(16-3)10(17-4)8(6)11(12)13/h5H,1-4H3,(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.5307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.227 g/mol  logS: -1.5558  SlogP: 1.4192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135619  Sterimol/B1: 3.2431  Sterimol/B2: 3.26462  Sterimol/B3: 3.2658
  Sterimol/B4: 7.21732  Sterimol/L: 11.016 
 
 Surface and Volume Properties
  Accessible surface: 449.561  Positive charged surface: 373.046  Negative charged surface: 76.5158  Volume: 218
  Hydrophobic surface: 343.186  Hydrophilic surface: 106.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02313466
NCID-ZINC01678794