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PUBCHEM-ZINC05495193

 MMsINC code: MMs03286218
Type: Neutral
Formula: C10H7Cl5O
SMILES:   Clc1c(OCC(C)=C)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C10H7Cl5O/c1-4(2)3-16-10-8(14)6(12)5(11)7(13)9(10)15/h1,3H2,2H3

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Potential Energy
Epot(MMFF94)=57.7776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.43 g/mol  logS: -5.61989  SlogP: 5.9085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0916634  Sterimol/B1: 2.39963  Sterimol/B2: 4.44848  Sterimol/B3: 4.74615
  Sterimol/B4: 4.75284  Sterimol/L: 13.5858 
 
 Surface and Volume Properties
  Accessible surface: 469.981  Positive charged surface: 144.114  Negative charged surface: 325.866  Volume: 242.625
  Hydrophobic surface: 430.554  Hydrophilic surface: 39.427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.