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IFLAB-ZINC04107500

 MMsINC code: MMs02016810
Type: Neutral
Formula: C14H8F2N4O2
SMILES:   Fc1cccc(F)c1C(=O)Nc1oc(nn1)-c1ccncc1
InChI:   InChI=1/C14H8F2N4O2/c15-9-2-1-3-10(16)11(9)12(21)18-14-20-19-13(22-14)8-4-6-17-7-5-8/h1-7H,(H,18,20,21)

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Potential Energy
Epot(MMFF94)=49.0442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.24 g/mol  logS: -5.25546  SlogP: 2.6621  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0442417  Sterimol/B1: 3.62949  Sterimol/B2: 3.87815  Sterimol/B3: 3.87925
  Sterimol/B4: 4.28305  Sterimol/L: 17.0444 
 
 Surface and Volume Properties
  Accessible surface: 510.844  Positive charged surface: 273.866  Negative charged surface: 236.978  Volume: 248.25
  Hydrophobic surface: 375.973  Hydrophilic surface: 134.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.