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MAYBRIDGE-ZINC00116698

 MMsINC code: MMs02134404
Type: Neutral
Formula: C11H10FN3O
SMILES:   Fc1ccc(cc1)C(=O)Nc1n(ncc1)C
InChI:   InChI=1/C11H10FN3O/c1-15-10(6-7-13-15)14-11(16)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=60.8181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.219 g/mol  logS: -2.29116  SlogP: 2.1707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00622851  Sterimol/B1: 1.97178  Sterimol/B2: 2.09755  Sterimol/B3: 2.51282
  Sterimol/B4: 5.9292  Sterimol/L: 13.3361 
 
 Surface and Volume Properties
  Accessible surface: 420.032  Positive charged surface: 249.901  Negative charged surface: 170.131  Volume: 201.375
  Hydrophobic surface: 367.508  Hydrophilic surface: 52.524
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.