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ENAMINE-ZINC03356516

 MMsINC code: MMs01393011
Type: Neutral
Formula: C27H28N2O4
SMILES:   O(CC(=O)c1ccc(NC(=O)CC(C)C)cc1)c1ccccc1C(=O)NCc1ccccc1
InChI:   InChI=1/C27H28N2O4/c1-19(2)16-26(31)29-22-14-12-21(13-15-22)24(30)18-33-25-11-7-6-10-23(25)27(32)28-17-20-8-4-3-5-9-20/h3-15,19H,16-18H2,1-2H3,(H,28,32)(H,29,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.169 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.531 g/mol  logS: -6.8902  SlogP: 5.1293  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014739  Sterimol/B1: 3.46127  Sterimol/B2: 3.8723  Sterimol/B3: 4.49648
  Sterimol/B4: 6.77314  Sterimol/L: 25.7068 
 
 Surface and Volume Properties
  Accessible surface: 800.686  Positive charged surface: 494.658  Negative charged surface: 306.027  Volume: 441.25
  Hydrophobic surface: 650.989  Hydrophilic surface: 149.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.