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IBS-ZINC01207553

 MMsINC code: MMs01762554
Type: Neutral
Formula: C16H10Cl3N3O2
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ncc(Cl)cc1
InChI:   InChI=1/C16H10Cl3N3O2/c1-8-13(16(23)21-12-6-5-9(17)7-20-12)15(22-24-8)14-10(18)3-2-4-11(14)19/h2-7H,1H3,(H,20,21,23)

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Potential Energy
Epot(MMFF94)=79.3172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.634 g/mol  logS: -5.96578  SlogP: 5.25752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186485  Sterimol/B1: 2.35526  Sterimol/B2: 4.53937  Sterimol/B3: 4.54099
  Sterimol/B4: 9.92606  Sterimol/L: 13.8241 
 
 Surface and Volume Properties
  Accessible surface: 577.773  Positive charged surface: 234.786  Negative charged surface: 342.986  Volume: 309.75
  Hydrophobic surface: 524.866  Hydrophilic surface: 52.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.