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ENAMINE-ZINC03480180

 MMsINC code: MMs01465655
Type: Neutral
Formula: C19H21N3O5
SMILES:   O(C(=O)c1[nH]c(C)c(C(=O)C)c1C)CC(=O)Nc1ccc(NC(=O)C)cc1
InChI:   InChI=1/C19H21N3O5/c1-10-17(12(3)23)11(2)20-18(10)19(26)27-9-16(25)22-15-7-5-14(6-8-15)21-13(4)24/h5-8,20H,9H2,1-4H3,(H,21,24)(H,22,25)

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Potential Energy
Epot(MMFF94)=94.2226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.393 g/mol  logS: -3.35476  SlogP: 2.58804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175453  Sterimol/B1: 2.11851  Sterimol/B2: 3.13343  Sterimol/B3: 3.25989
  Sterimol/B4: 7.06633  Sterimol/L: 22.0943 
 
 Surface and Volume Properties
  Accessible surface: 666.159  Positive charged surface: 403.901  Negative charged surface: 262.259  Volume: 346.75
  Hydrophobic surface: 472.053  Hydrophilic surface: 194.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.