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CHEMBLOCK-ZINC01422345

 MMsINC code: MMs00519058
Type: Neutral
Formula: C19H16FN3O3
SMILES:   Fc1ccc(N2CC=3N(C)C(=O)NC(C=3C2=O)c2ccc(O)cc2)cc1
InChI:   InChI=1/C19H16FN3O3/c1-22-15-10-23(13-6-4-12(20)5-7-13)18(25)16(15)17(21-19(22)26)11-2-8-14(24)9-3-11/h2-9,17,24H,10H2,1H3,(H,21,26)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=51.2563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.353 g/mol  logS: -3.96835  SlogP: 2.6238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101785  Sterimol/B1: 2.34328  Sterimol/B2: 3.5695  Sterimol/B3: 4.20891
  Sterimol/B4: 9.47605  Sterimol/L: 14.7278 
 
 Surface and Volume Properties
  Accessible surface: 564.904  Positive charged surface: 338.616  Negative charged surface: 226.287  Volume: 313.875
  Hydrophobic surface: 428.899  Hydrophilic surface: 136.005
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.