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ENAMINE-ZINC04514080

 MMsINC code: MMs01544543
Type: Neutral
Formula: C19H26FN3O3
SMILES:   Fc1ccc(cc1)C1(NC(=O)N(CC(=O)N(C(C)C)C(C)C)C1=O)CC
InChI:   InChI=1/C19H26FN3O3/c1-6-19(14-7-9-15(20)10-8-14)17(25)22(18(26)21-19)11-16(24)23(12(2)3)13(4)5/h7-10,12-13H,6,11H2,1-5H3,(H,21,26)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.3723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.433 g/mol  logS: -4.00177  SlogP: 2.9397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124582  Sterimol/B1: 2.25695  Sterimol/B2: 3.97211  Sterimol/B3: 4.32736
  Sterimol/B4: 9.05395  Sterimol/L: 13.8875 
 
 Surface and Volume Properties
  Accessible surface: 606.822  Positive charged surface: 358.988  Negative charged surface: 247.835  Volume: 350.75
  Hydrophobic surface: 429.322  Hydrophilic surface: 177.5
 
 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.