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PUBCHEM-ZINC03078097

 MMsINC code: MMs02990587
Type: Neutral
Formula: C9H3Cl5F4O4S
SMILES:   Clc1cc(Cl)ccc1OS(=O)(=O)C(F)(F)C(F)(F)OC(Cl)(Cl)Cl
InChI:   InChI=1/C9H3Cl5F4O4S/c10-4-1-2-6(5(11)3-4)21-23(19,20)8(17,18)7(15,16)22-9(12,13)14/h1-3H

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Potential Energy
Epot(MMFF94)=63.0802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.442 g/mol  logS: -7.25189  SlogP: 6.4916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103377  Sterimol/B1: 2.93885  Sterimol/B2: 2.97582  Sterimol/B3: 4.82573
  Sterimol/B4: 6.3749  Sterimol/L: 14.5997 
 
 Surface and Volume Properties
  Accessible surface: 525.057  Positive charged surface: 62.7651  Negative charged surface: 462.292  Volume: 275.25
  Hydrophobic surface: 226.176  Hydrophilic surface: 298.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.