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ENAMINE-ZINC03464552

 MMsINC code: MMs01458897
Type: Neutral
Formula: C16H17F2N3O6
SMILES:   FC(F)Oc1ccc(cc1)C1(NC(=O)N(CC(=O)NC(OCC)=O)C1=O)C
InChI:   InChI=1/C16H17F2N3O6/c1-3-26-15(25)19-11(22)8-21-12(23)16(2,20-14(21)24)9-4-6-10(7-5-9)27-13(17)18/h4-7,13H,3,8H2,1-2H3,(H,20,24)(H,19,22,25)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.8924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.323 g/mol  logS: -3.22776  SlogP: 2.0591  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685574  Sterimol/B1: 3.78613  Sterimol/B2: 3.79579  Sterimol/B3: 5.25905
  Sterimol/B4: 6.65943  Sterimol/L: 15.731 
 
 Surface and Volume Properties
  Accessible surface: 609.806  Positive charged surface: 360.079  Negative charged surface: 249.727  Volume: 317.75
  Hydrophobic surface: 304.593  Hydrophilic surface: 305.213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.