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CHEMDIV-ZINC03907649

 MMsINC code: MMs00919715
Type: Neutral
Formula: C15H10FN3O2
SMILES:   Fc1ccc(cc1)-c1onc(c1)C(=O)Nc1cccnc1
InChI:   InChI=1/C15H10FN3O2/c16-11-5-3-10(4-6-11)14-8-13(19-21-14)15(20)18-12-2-1-7-17-9-12/h1-9H,(H,18,20)

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Potential Energy
Epot(MMFF94)=86.5131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.262 g/mol  logS: -3.58616  SlogP: 3.128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00766471  Sterimol/B1: 2.13223  Sterimol/B2: 2.71064  Sterimol/B3: 3.05693
  Sterimol/B4: 4.92433  Sterimol/L: 18.0307 
 
 Surface and Volume Properties
  Accessible surface: 499.764  Positive charged surface: 278.585  Negative charged surface: 221.179  Volume: 249.75
  Hydrophobic surface: 408.282  Hydrophilic surface: 91.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.