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ASINEX-ZINC00721055

 MMsINC code: MMs00153369
Type: Neutral
Formula: C20H19F3N4O4
SMILES:   FC(F)(F)C=1n2nc(cc2N=C(C=1)c1cc(OC)c(OC)cc1)C(=O)N1CCOCC1
InChI:   InChI=1/C20H19F3N4O4/c1-29-15-4-3-12(9-16(15)30-2)13-10-17(20(21,22)23)27-18(24-13)11-14(25-27)19(28)26-5-7-31-8-6-26/h3-4,9-11H,5-8H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=154.306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.39 g/mol  logS: -4.63823  SlogP: 3.3302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169664  Sterimol/B1: 2.99673  Sterimol/B2: 3.27204  Sterimol/B3: 4.56495
  Sterimol/B4: 6.98219  Sterimol/L: 20.3151 
 
 Surface and Volume Properties
  Accessible surface: 669.153  Positive charged surface: 434.021  Negative charged surface: 235.132  Volume: 365.375
  Hydrophobic surface: 487.522  Hydrophilic surface: 181.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.