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CHEMBRIDGE-ZINC04840910

 MMsINC code: MMs00798039
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(CC(=O)Nc1cc(ccc1)C)c1ccccc1C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C24H24N2O3/c1-17-9-8-12-20(15-17)26-23(27)16-29-22-14-7-6-13-21(22)24(28)25-18(2)19-10-4-3-5-11-19/h3-15,18H,16H2,1-2H3,(H,25,28)(H,26,27)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -6.14685  SlogP: 4.59902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364609  Sterimol/B1: 2.42306  Sterimol/B2: 3.95092  Sterimol/B3: 5.01688
  Sterimol/B4: 8.38795  Sterimol/L: 20.8865 
 
 Surface and Volume Properties
  Accessible surface: 703.938  Positive charged surface: 417.332  Negative charged surface: 286.605  Volume: 389.125
  Hydrophobic surface: 613.096  Hydrophilic surface: 90.842
 
 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.