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MAYBRIDGE-ZINC03129685

 MMsINC code: MMs02161201
Type: Neutral
Formula: C15H10Cl2F3N3O2
SMILES:   Clc1cc(cc(Cl)c1)C(NC(=O)c1ccc(OCC(F)(F)F)nc1)=N
InChI:   InChI=1/C15H10Cl2F3N3O2/c16-10-3-9(4-11(17)5-10)13(21)23-14(24)8-1-2-12(22-6-8)25-7-15(18,19)20/h1-6H,7H2,(H2,21,23,24)

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Potential Energy
Epot(MMFF94)=65.3797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.164 g/mol  logS: -5.54205  SlogP: 4.50477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00674785  Sterimol/B1: 2.53215  Sterimol/B2: 2.62698  Sterimol/B3: 2.64431
  Sterimol/B4: 8.31414  Sterimol/L: 18.5497 
 
 Surface and Volume Properties
  Accessible surface: 587.654  Positive charged surface: 214.477  Negative charged surface: 373.178  Volume: 299.875
  Hydrophobic surface: 379.878  Hydrophilic surface: 207.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.