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ASINEX-ZINC01365721

 MMsINC code: MMs00248695
Type: Neutral
Formula: C19H26F3N3O2
SMILES:   FC(F)(F)C(=O)N(C(C(=O)NC1CCCCC1)c1ccncc1)CC(C)C
InChI:   InChI=1/C19H26F3N3O2/c1-13(2)12-25(18(27)19(20,21)22)16(14-8-10-23-11-9-14)17(26)24-15-6-4-3-5-7-15/h8-11,13,15-16H,3-7,12H2,1-2H3,(H,24,26)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.43 g/mol  logS: -3.62433  SlogP: 4.1339  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251527  Sterimol/B1: 2.63962  Sterimol/B2: 4.40574  Sterimol/B3: 5.14585
  Sterimol/B4: 9.89961  Sterimol/L: 13.6238 
 
 Surface and Volume Properties
  Accessible surface: 608.141  Positive charged surface: 404.695  Negative charged surface: 203.446  Volume: 348.875
  Hydrophobic surface: 437.867  Hydrophilic surface: 170.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.