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ASINEX-ZINC00823826

 MMsINC code: MMs00182057
Type: Neutral
Formula: C13H9Cl5N2O2
SMILES:   Clc1ccc(Cl)cc1NC(NC(=O)c1occc1)C(Cl)(Cl)Cl
InChI:   InChI=1/C13H9Cl5N2O2/c14-7-3-4-8(15)9(6-7)19-12(13(16,17)18)20-11(21)10-2-1-5-22-10/h1-6,12,19H,(H,20,21)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=72.4719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.492 g/mol  logS: -6.63045  SlogP: 5.5445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160769  Sterimol/B1: 2.97324  Sterimol/B2: 4.63314  Sterimol/B3: 4.76433
  Sterimol/B4: 7.57389  Sterimol/L: 13.1534 
 
 Surface and Volume Properties
  Accessible surface: 569.39  Positive charged surface: 144.275  Negative charged surface: 425.115  Volume: 305.625
  Hydrophobic surface: 377.786  Hydrophilic surface: 191.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.