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PUBCHEM-ZINC02171132

 MMsINC code: MMs02880144
Type: Ionized
Formula: C14H13Cl4O4-
SMILES:   Clc1c(C(=O)[O-])c(C(OCCCCCC)=O)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C14H14Cl4O4/c1-2-3-4-5-6-22-14(21)8-7(13(19)20)9(15)11(17)12(18)10(8)16/h2-6H2,1H3,(H,19,20)/p-1

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Potential Energy
Epot(MMFF94)=31.3187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.066 g/mol  logS: -7.00826  SlogP: 4.4008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645995  Sterimol/B1: 2.98117  Sterimol/B2: 5.0766  Sterimol/B3: 5.15384
  Sterimol/B4: 5.15891  Sterimol/L: 17.8756 
 
 Surface and Volume Properties
  Accessible surface: 588.273  Positive charged surface: 245.611  Negative charged surface: 342.662  Volume: 307.375
  Hydrophobic surface: 470.328  Hydrophilic surface: 117.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02880143
PUBCHEM-ZINC02171132