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PUBCHEM-ZINC05843803

 MMsINC code: MMs03412314
Type: Neutral
Formula: C12H3Cl5O2
SMILES:   Clc1c(Cl)c(Cl)c2Oc3c(Oc2c1Cl)c(Cl)ccc3
InChI:   InChI=1/C12H3Cl5O2/c13-4-2-1-3-5-10(4)19-12-9(17)7(15)6(14)8(16)11(12)18-5/h1-3H

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Potential Energy
Epot(MMFF94)=62.7956 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: 1.42208e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.10026  Sterimol/B3: 4.40515
  Sterimol/B4: 5.92832  Sterimol/L: 13.1555 
 
 Surface and Volume Properties
  Accessible surface: 476.384  Positive charged surface: 127.947  Negative charged surface: 348.438  Volume: 251.375
  Hydrophobic surface: 476.384  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.