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ENAMINE-ZINC06881082

 MMsINC code: MMs01709286
Type: Neutral
Formula: C15H10F2N4O
SMILES:   Fc1ccc(F)cc1NC(=O)c1nn(nc1)-c1ccccc1
InChI:   InChI=1/C15H10F2N4O/c16-10-6-7-12(17)13(8-10)19-15(22)14-9-18-21(20-14)11-4-2-1-3-5-11/h1-9H,(H,19,22)

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Potential Energy
Epot(MMFF94)=81.8839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.268 g/mol  logS: -3.77192  SlogP: 2.7978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00955092  Sterimol/B1: 2.44655  Sterimol/B2: 2.72856  Sterimol/B3: 3.21955
  Sterimol/B4: 6.19949  Sterimol/L: 16.7807 
 
 Surface and Volume Properties
  Accessible surface: 517.831  Positive charged surface: 258.518  Negative charged surface: 259.312  Volume: 256.125
  Hydrophobic surface: 445.271  Hydrophilic surface: 72.56
 
 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.