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NCID-ZINC01736036

 MMsINC code: MMs02357735
Type: Neutral
Formula: C14H14Cl4O4
SMILES:   Clc1c(C(OCCC)=O)c(C(OCCC)=O)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C14H14Cl4O4/c1-3-5-21-13(19)7-8(14(20)22-6-4-2)10(16)12(18)11(17)9(7)15/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.074 g/mol  logS: -6.14346  SlogP: 5.4338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0937671  Sterimol/B1: 2.22274  Sterimol/B2: 3.37799  Sterimol/B3: 3.89005
  Sterimol/B4: 10.8962  Sterimol/L: 12.9876 
 
 Surface and Volume Properties
  Accessible surface: 599.174  Positive charged surface: 273.318  Negative charged surface: 325.856  Volume: 310.875
  Hydrophobic surface: 502.517  Hydrophilic surface: 96.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.