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PUBCHEM-ZINC05511424

 MMsINC code: MMs03292201
Type: Neutral
Formula: C14H14O6
SMILES:   O(C(=O)c1ccc(cc1)C=C(C(OC)=O)C(OC)=O)C
InChI:   InChI=1/C14H14O6/c1-18-12(15)10-6-4-9(5-7-10)8-11(13(16)19-2)14(17)20-3/h4-8H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.8696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.26 g/mol  logS: -3.07192  SlogP: 1.2026  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394559  Sterimol/B1: 2.47727  Sterimol/B2: 3.71764  Sterimol/B3: 4.28718
  Sterimol/B4: 5.40187  Sterimol/L: 16.2882 
 
 Surface and Volume Properties
  Accessible surface: 518.005  Positive charged surface: 391.998  Negative charged surface: 126.007  Volume: 255.25
  Hydrophobic surface: 421.593  Hydrophilic surface: 96.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.