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CHEMBLOCK-ZINC01087988

 MMsINC code: MMs00515892
Type: Neutral
Formula: C15H13F3N4O3
SMILES:   FC(F)(F)c1ccc(cc1)C(=O)NC(=O)Nc1nc(cc(OC)n1)C
InChI:   InChI=1/C15H13F3N4O3/c1-8-7-11(25-2)20-13(19-8)22-14(24)21-12(23)9-3-5-10(6-4-9)15(16,17)18/h3-7H,1-2H3,(H2,19,20,21,22,23,24)

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Potential Energy
Epot(MMFF94)=33.6965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.288 g/mol  logS: -4.81958  SlogP: 3.08582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00690667  Sterimol/B1: 2.34998  Sterimol/B2: 2.51223  Sterimol/B3: 2.81579
  Sterimol/B4: 8.20543  Sterimol/L: 17.9113 
 
 Surface and Volume Properties
  Accessible surface: 576.239  Positive charged surface: 317.865  Negative charged surface: 258.374  Volume: 288.25
  Hydrophobic surface: 338.095  Hydrophilic surface: 238.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.