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ENAMINE-ZINC00155416

 MMsINC code: MMs01225793
Type: Neutral
Formula: C11H14O5
SMILES:   O(C)c1c(OC)c(OC)ccc1CC(O)=O
InChI:   InChI=1/C11H14O5/c1-14-8-5-4-7(6-9(12)13)10(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.8118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.228 g/mol  logS: -1.56689  SlogP: 1.33947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184609  Sterimol/B1: 3.17362  Sterimol/B2: 3.34482  Sterimol/B3: 3.89916
  Sterimol/B4: 6.26125  Sterimol/L: 12.5764 
 
 Surface and Volume Properties
  Accessible surface: 443.057  Positive charged surface: 352.202  Negative charged surface: 90.8546  Volume: 211.75
  Hydrophobic surface: 334.374  Hydrophilic surface: 108.683
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs01225794
ENAMINE-ZINC00155416