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PUBCHEM-ZINC05784471

 MMsINC code: MMs03384824
Type: Neutral
Formula: C12H3Cl5O2
SMILES:   Clc1cc(Cl)c2Oc3c(Oc2c1Cl)c(Cl)c(Cl)cc3
InChI:   InChI=1/C12H3Cl5O2/c13-4-1-2-7-11(8(4)16)19-12-9(17)5(14)3-6(15)10(12)18-7/h1-3H

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Potential Energy
Epot(MMFF94)=59.5879 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: 1.44339e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09902  Sterimol/B3: 3.72502
  Sterimol/B4: 6.60684  Sterimol/L: 14.252 
 
 Surface and Volume Properties
  Accessible surface: 478.125  Positive charged surface: 122.008  Negative charged surface: 356.118  Volume: 253.625
  Hydrophobic surface: 478.125  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.