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PUBCHEM-ZINC03204792

 MMsINC code: MMs03007694
Type: Neutral
Formula: C15H11Cl5O3S
SMILES:   Clc1c(OS(=O)(=O)c2c(cc(cc2C)C)C)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C15H11Cl5O3S/c1-6-4-7(2)15(8(3)5-6)24(21,22)23-14-12(19)10(17)9(16)11(18)13(14)20/h4-5H,1-3H3

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Potential Energy
Epot(MMFF94)=97.8674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.581 g/mol  logS: -7.94852  SlogP: 6.64656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0951464  Sterimol/B1: 4.21956  Sterimol/B2: 4.23954  Sterimol/B3: 4.73345
  Sterimol/B4: 5.08317  Sterimol/L: 16.4279 
 
 Surface and Volume Properties
  Accessible surface: 572.975  Positive charged surface: 188.177  Negative charged surface: 384.798  Volume: 331.75
  Hydrophobic surface: 543.687  Hydrophilic surface: 29.288
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.