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AURORAFEINCHEMIE-ZINC03341200

MMsINC code: MMs00456026

Type: Neutral
Formula: C24H32N2O3
SMILES:   O(C)c1ccccc1CNC(=O)C(NC(=O)c1ccc(cc1)C(C)(C)C)C(C)C
InChI:   InChI=1/C24H32N2O3/c1-16(2)21(23(28)25-15-18-9-7-8-10-20(18)29-6)26-22(27)17-11-13-19(14-12-17)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)=110.071 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: 0.0612351  Sterimol/B1: 2.52966  Sterimol/B2: 2.65253  Sterimol/B3: 5.57249
  Sterimol/B4: 7.17941  Sterimol/L: 20.776 
 
 Surface and Volume Properties
  Accessible surface: 713.469  Positive charged surface: 471.96  Negative charged surface: 241.51  Volume: 413.375
  Hydrophobic surface: 565.2  Hydrophilic surface: 148.269
 
 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.