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IFLAB-ZINC05298900

 MMsINC code: MMs02089285
Type: Neutral
Formula: C15H14Cl2N2O3S2
SMILES:   Clc1ccc(NC(=O)C2N(S(=O)(=O)c3sc(Cl)cc3)CCC2)cc1
InChI:   InChI=1/C15H14Cl2N2O3S2/c16-10-3-5-11(6-4-10)18-15(20)12-2-1-9-19(12)24(21,22)14-8-7-13(17)23-14/h3-8,12H,1-2,9H2,(H,18,20)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=74.8125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.326 g/mol  logS: -5.5921  SlogP: 3.8467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116861  Sterimol/B1: 3.62379  Sterimol/B2: 4.62973  Sterimol/B3: 5.10794
  Sterimol/B4: 5.80281  Sterimol/L: 17.3923 
 
 Surface and Volume Properties
  Accessible surface: 605.762  Positive charged surface: 257.12  Negative charged surface: 348.643  Volume: 324.625
  Hydrophobic surface: 532.529  Hydrophilic surface: 73.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.