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CHEMDIV-ZINC04484189

 MMsINC code: MMs00936450
Type: Neutral
Formula: C19H19FN4O2
SMILES:   Fc1cc(-n2nnc(C(=O)Nc3cc(ccc3OC)C)c2C)ccc1C
InChI:   InChI=1/C19H19FN4O2/c1-11-5-8-17(26-4)16(9-11)21-19(25)18-13(3)24(23-22-18)14-7-6-12(2)15(20)10-14/h5-10H,1-4H3,(H,21,25)

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Potential Energy
Epot(MMFF94)=107.285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.385 g/mol  logS: -4.4751  SlogP: 3.59256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.025811  Sterimol/B1: 2.01478  Sterimol/B2: 2.76669  Sterimol/B3: 3.75999
  Sterimol/B4: 8.82002  Sterimol/L: 18.4336 
 
 Surface and Volume Properties
  Accessible surface: 616.236  Positive charged surface: 367.021  Negative charged surface: 249.215  Volume: 329.625
  Hydrophobic surface: 530.208  Hydrophilic surface: 86.028
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.