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ASINEX-ZINC00918242

 MMsINC code: MMs00219768
Type: Neutral
Formula: C19H12F4N4O2
SMILES:   Fc1cc(NC(=O)c2nn3c(N=C(C=C3C(F)(F)F)c3occc3)c2)ccc1C
InChI:   InChI=1/C19H12F4N4O2/c1-10-4-5-11(7-12(10)20)24-18(28)14-9-17-25-13(15-3-2-6-29-15)8-16(19(21,22)23)27(17)26-14/h2-9H,1H3,(H,24,28)

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Potential Energy
Epot(MMFF94)=82.7841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.323 g/mol  logS: -6.38286  SlogP: 5.13342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00972324  Sterimol/B1: 2.50719  Sterimol/B2: 3.17362  Sterimol/B3: 3.67097
  Sterimol/B4: 5.9687  Sterimol/L: 20.4825 
 
 Surface and Volume Properties
  Accessible surface: 639.134  Positive charged surface: 271.728  Negative charged surface: 367.406  Volume: 326.375
  Hydrophobic surface: 453.534  Hydrophilic surface: 185.6
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.