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NCID-ZINC01641208

 MMsINC code: MMs02283211
Type: Neutral
Formula: C10H9Cl3O3
SMILES:   Clc1cc(Cl)c(Cl)cc1OC(OC(C)C)=O
InChI:   InChI=1/C10H9Cl3O3/c1-5(2)15-10(14)16-9-4-7(12)6(11)3-8(9)13/h3-5H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.3246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.538 g/mol  logS: -4.66515  SlogP: 4.5706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0414632  Sterimol/B1: 2.8832  Sterimol/B2: 3.11185  Sterimol/B3: 3.53087
  Sterimol/B4: 5.71533  Sterimol/L: 14.2442 
 
 Surface and Volume Properties
  Accessible surface: 467.416  Positive charged surface: 183.078  Negative charged surface: 284.338  Volume: 226
  Hydrophobic surface: 382.82  Hydrophilic surface: 84.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.