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IFLAB-ZINC04275939

 MMsINC code: MMs02034564
Type: Neutral
Formula: C15H10FN3O2
SMILES:   Fc1ccc(cc1)-c1oc(nn1)NC(=O)c1ccccc1
InChI:   InChI=1/C15H10FN3O2/c16-12-8-6-11(7-9-12)14-18-19-15(21-14)17-13(20)10-4-2-1-3-5-10/h1-9H,(H,17,19,20)

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Potential Energy
Epot(MMFF94)=58.0729 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.262 g/mol  logS: -6.21862  SlogP: 3.128  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.08644e-07  Sterimol/B1: 2.09778  Sterimol/B2: 2.10165  Sterimol/B3: 3.4423
  Sterimol/B4: 4.38566  Sterimol/L: 17.9154 
 
 Surface and Volume Properties
  Accessible surface: 504.451  Positive charged surface: 243.825  Negative charged surface: 260.626  Volume: 249.375
  Hydrophobic surface: 387.015  Hydrophilic surface: 117.436
 
 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.