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ENAMINE-ZINC07056530

 MMsINC code: MMs01721159
Type: Neutral
Formula: C24H32N2O3
SMILES:   O(C)c1ccc(cc1)CNC(=O)C(NC(=O)c1ccc(cc1)C(C)(C)C)C(C)C
InChI:   InChI=1/C24H32N2O3/c1-16(2)21(23(28)25-15-17-7-13-20(29-6)14-8-17)26-22(27)18-9-11-19(12-10-18)24(3,4)5/h7-14,16,21H,15H2,1-6H3,(H,25,28)(H,26,27)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.531 g/mol  logS: -6.27219  SlogP: 4.3299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0496894  Sterimol/B1: 2.46562  Sterimol/B2: 3.51793  Sterimol/B3: 4.24768
  Sterimol/B4: 6.93122  Sterimol/L: 22.8295 
 
 Surface and Volume Properties
  Accessible surface: 727.299  Positive charged surface: 479.905  Negative charged surface: 247.394  Volume: 414.625
  Hydrophobic surface: 565.019  Hydrophilic surface: 162.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.