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ENAMINE-ZINC04514521

 MMsINC code: MMs01544668
Type: Neutral
Formula: C19H24FN3O4
SMILES:   Fc1ccc(cc1)C1(NC(=O)N(CC(=O)N2CC(OC(C2)C)C)C1=O)CC
InChI:   InChI=1/C19H24FN3O4/c1-4-19(14-5-7-15(20)8-6-14)17(25)23(18(26)21-19)11-16(24)22-9-12(2)27-13(3)10-22/h5-8,12-13H,4,9-11H2,1-3H3,(H,21,26)/t12-,13-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.3144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.416 g/mol  logS: -3.63883  SlogP: 1.9301  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0766405  Sterimol/B1: 2.49718  Sterimol/B2: 3.51105  Sterimol/B3: 4.29483
  Sterimol/B4: 7.84184  Sterimol/L: 16.4999 
 
 Surface and Volume Properties
  Accessible surface: 605.567  Positive charged surface: 376.648  Negative charged surface: 228.919  Volume: 347
  Hydrophobic surface: 438.053  Hydrophilic surface: 167.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.