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CHEMBLOCK-ZINC01425466

 MMsINC code: MMs00520657
Type: Neutral
Formula: C17H14FN5O3
SMILES:   Fc1ccccc1-c1nn(nn1)CC(=O)Nc1ccccc1C(OC)=O
InChI:   InChI=1/C17H14FN5O3/c1-26-17(25)12-7-3-5-9-14(12)19-15(24)10-23-21-16(20-22-23)11-6-2-4-8-13(11)18/h2-9H,10H2,1H3,(H,19,24)

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Potential Energy
Epot(MMFF94)=89.1242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.329 g/mol  logS: -4.58827  SlogP: 2.1709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0751678  Sterimol/B1: 2.08634  Sterimol/B2: 3.46476  Sterimol/B3: 4.6587
  Sterimol/B4: 8.56353  Sterimol/L: 17.4525 
 
 Surface and Volume Properties
  Accessible surface: 606.046  Positive charged surface: 355.617  Negative charged surface: 250.429  Volume: 310.5
  Hydrophobic surface: 483.294  Hydrophilic surface: 122.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.