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ASINEX-ZINC00820543

 MMsINC code: MMs00180798
Type: Neutral
Formula: C11H14Cl3N3O2S
SMILES:   ClC(Cl)(Cl)C(NC(=O)C(C)(C)C)N1C(=O)C=CNC1=S
InChI:   InChI=1/C11H14Cl3N3O2S/c1-10(2,3)8(19)16-7(11(12,13)14)17-6(18)4-5-15-9(17)20/h4-5,7H,1-3H3,(H,15,20)(H,16,19)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=52.9998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.677 g/mol  logS: -4.61575  SlogP: 2.4953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199623  Sterimol/B1: 3.11829  Sterimol/B2: 3.51719  Sterimol/B3: 5.75716
  Sterimol/B4: 6.49484  Sterimol/L: 12.1719 
 
 Surface and Volume Properties
  Accessible surface: 500.024  Positive charged surface: 194.836  Negative charged surface: 305.189  Volume: 284.875
  Hydrophobic surface: 210.452  Hydrophilic surface: 289.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.