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ASINEX-ZINC00238076

 MMsINC code: MMs00096351
Type: Neutral
Formula: C11H14Cl3N3O3
SMILES:   ClC(Cl)(Cl)C(NC(=O)C(C)(C)C)N1C=CC(=O)NC1=O
InChI:   InChI=1/C11H14Cl3N3O3/c1-10(2,3)8(19)16-7(11(12,13)14)17-5-4-6(18)15-9(17)20/h4-5,7H,1-3H3,(H,16,19)(H,15,18,20)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=38.1668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.61 g/mol  logS: -3.38079  SlogP: 2.3304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192548  Sterimol/B1: 2.34182  Sterimol/B2: 3.30279  Sterimol/B3: 5.52175
  Sterimol/B4: 6.52671  Sterimol/L: 12.5198 
 
 Surface and Volume Properties
  Accessible surface: 494.403  Positive charged surface: 208.271  Negative charged surface: 286.132  Volume: 273.625
  Hydrophobic surface: 189.916  Hydrophilic surface: 304.487
 
 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.