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PUBCHEM-ZINC05784470

 MMsINC code: MMs03384823
Type: Neutral
Formula: C12H3Cl5O2
SMILES:   Clc1c(Cl)c2Oc3c(Oc2cc1Cl)c(Cl)c(Cl)cc3
InChI:   InChI=1/C12H3Cl5O2/c13-4-1-2-6-11(9(4)16)19-7-3-5(14)8(15)10(17)12(7)18-6/h1-3H

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Potential Energy
Epot(MMFF94)=60.9742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.419 g/mol  logS: -7.79973  SlogP: 6.8516  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.22353e-07  Sterimol/B1: 2.09701  Sterimol/B2: 2.09895  Sterimol/B3: 3.59822
  Sterimol/B4: 6.54923  Sterimol/L: 14.3619 
 
 Surface and Volume Properties
  Accessible surface: 479.187  Positive charged surface: 126.026  Negative charged surface: 353.16  Volume: 252.625
  Hydrophobic surface: 479.187  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.