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ASINEX-ZINC00238086

 MMsINC code: MMs00096356
Type: Neutral
Formula: C14H11FN4O
SMILES:   Fc1ccc(-n2nc3cc(NC(=O)C)ccc3n2)cc1
InChI:   InChI=1/C14H11FN4O/c1-9(20)16-11-4-7-13-14(8-11)18-19(17-13)12-5-2-10(15)3-6-12/h2-8H,1H3,(H,16,20)

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Potential Energy
Epot(MMFF94)=77.6619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.267 g/mol  logS: -3.37896  SlogP: 2.518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00683092  Sterimol/B1: 2.428  Sterimol/B2: 2.57636  Sterimol/B3: 2.94039
  Sterimol/B4: 6.26235  Sterimol/L: 16.5985 
 
 Surface and Volume Properties
  Accessible surface: 486.036  Positive charged surface: 250.918  Negative charged surface: 235.118  Volume: 241.375
  Hydrophobic surface: 390.063  Hydrophilic surface: 95.973
 
 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.