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ASINEX-ZINC03123939

 MMsINC code: MMs00286404
Type: Neutral
Formula: C7H6Cl3N3O3
SMILES:   ClC(Cl)(Cl)C(NC=O)N1C=CC(=O)NC1=O
InChI:   InChI=1/C7H6Cl3N3O3/c8-7(9,10)5(11-3-14)13-2-1-4(15)12-6(13)16/h1-3,5H,(H,11,14)(H,12,15,16)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=24.1787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.502 g/mol  logS: -2.6644  SlogP: 0.9141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.319205  Sterimol/B1: 3.34359  Sterimol/B2: 3.72242  Sterimol/B3: 4.21318
  Sterimol/B4: 5.39609  Sterimol/L: 11.2087 
 
 Surface and Volume Properties
  Accessible surface: 399.003  Positive charged surface: 147.454  Negative charged surface: 251.549  Volume: 200.875
  Hydrophobic surface: 89.7417  Hydrophilic surface: 309.2613
 
 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.