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ENAMINE-ZINC03221565

 MMsINC code: MMs01313717
Type: Neutral
Formula: C15H13Cl4NO2S
SMILES:   Clc1ccc(cc1)C(NS(=O)(=O)c1ccc(cc1)C)C(Cl)(Cl)Cl
InChI:   InChI=1/C15H13Cl4NO2S/c1-10-2-8-13(9-3-10)23(21,22)20-14(15(17,18)19)11-4-6-12(16)7-5-11/h2-9,14,20H,1H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=56.1748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.152 g/mol  logS: -6.60673  SlogP: 5.55362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110741  Sterimol/B1: 3.42247  Sterimol/B2: 4.4668  Sterimol/B3: 4.82367
  Sterimol/B4: 5.39616  Sterimol/L: 16.2657 
 
 Surface and Volume Properties
  Accessible surface: 561.483  Positive charged surface: 195.219  Negative charged surface: 366.263  Volume: 323
  Hydrophobic surface: 364.131  Hydrophilic surface: 197.352
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.