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ENAMINE-ZINC03557510

 MMsINC code: MMs01507267
Type: Neutral
Formula: C19H19N3O5
SMILES:   O(C(C(=O)NC(=O)NC)c1ccccc1)C(=O)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C19H19N3O5/c1-12(23)21-15-10-8-14(9-11-15)18(25)27-16(13-6-4-3-5-7-13)17(24)22-19(26)20-2/h3-11,16H,1-2H3,(H,21,23)(H2,20,22,24,26)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.1058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.377 g/mol  logS: -4.14506  SlogP: 2.0942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0640886  Sterimol/B1: 3.68854  Sterimol/B2: 4.19113  Sterimol/B3: 4.83376
  Sterimol/B4: 7.49396  Sterimol/L: 19.3485 
 
 Surface and Volume Properties
  Accessible surface: 653.692  Positive charged surface: 408.963  Negative charged surface: 244.729  Volume: 340.625
  Hydrophobic surface: 473.609  Hydrophilic surface: 180.083
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.