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FDA-ZINC00001464

 MMsINC code: MMs01724893
Type: Neutral
Formula: C15H14FN3O3
SMILES:   Fc1cc2c(-n3c(CN(C)C2=O)c(nc3)C(OCC)=O)cc1
InChI:   InChI=1/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3

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Potential Energy
Epot(MMFF94)=69.8685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.293 g/mol  logS: -3.17927  SlogP: 2.0401  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390597  Sterimol/B1: 2.74548  Sterimol/B2: 3.506  Sterimol/B3: 3.62829
  Sterimol/B4: 6.28026  Sterimol/L: 16.4067 
 
 Surface and Volume Properties
  Accessible surface: 513.746  Positive charged surface: 339.908  Negative charged surface: 173.837  Volume: 268.875
  Hydrophobic surface: 399.38  Hydrophilic surface: 114.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.