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NCID-ZINC01707824

 MMsINC code: MMs02335927
Type: Neutral
Formula: C11H12Cl2O3
SMILES:   Clc1cc(Cl)c(O)c(C2(OCCO2)C)c1C
InChI:   InChI=1/C11H12Cl2O3/c1-6-7(12)5-8(13)10(14)9(6)11(2)15-3-4-16-11/h5,14H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.1013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.12 g/mol  logS: -3.44283  SlogP: 3.53842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176668  Sterimol/B1: 2.03617  Sterimol/B2: 3.09266  Sterimol/B3: 4.27061
  Sterimol/B4: 7.68259  Sterimol/L: 11.0039 
 
 Surface and Volume Properties
  Accessible surface: 422.419  Positive charged surface: 220.862  Negative charged surface: 201.556  Volume: 220.75
  Hydrophobic surface: 368.906  Hydrophilic surface: 53.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.