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APOLLO-ZINC00162789

MMsINC code: MMs00046842

Type: Neutral
Formula: C11H13Cl3O4
SMILES:   ClC(Cl)(Cl)C(O)c1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C11H13Cl3O4/c1-16-7-4-6(10(15)11(12,13)14)5-8(17-2)9(7)18-3/h4-5,10,15H,1-3H3/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=108.158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.58 g/mol  logS: -3.7148  SlogP: 3.6314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.097527  Sterimol/B1: 2.08813  Sterimol/B2: 3.54505  Sterimol/B3: 3.65059
  Sterimol/B4: 9.25321  Sterimol/L: 13.0443 
 
 Surface and Volume Properties
  Accessible surface: 486.916  Positive charged surface: 288.796  Negative charged surface: 198.12  Volume: 255.125
  Hydrophobic surface: 285.12  Hydrophilic surface: 201.796
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.