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ENAMINE-ZINC03349936

 MMsINC code: MMs01388957
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(CC)c1ccc(NC(C(=O)Nc2cc(ccc2)C(=O)C)c2ccccc2)cc1
InChI:   InChI=1/C24H24N2O3/c1-3-29-22-14-12-20(13-15-22)25-23(18-8-5-4-6-9-18)24(28)26-21-11-7-10-19(16-21)17(2)27/h4-16,23,25H,3H2,1-2H3,(H,26,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -5.63553  SlogP: 5.1753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655879  Sterimol/B1: 2.41772  Sterimol/B2: 3.50413  Sterimol/B3: 5.22654
  Sterimol/B4: 8.84957  Sterimol/L: 19.51 
 
 Surface and Volume Properties
  Accessible surface: 703.418  Positive charged surface: 415.583  Negative charged surface: 287.835  Volume: 387.125
  Hydrophobic surface: 594.26  Hydrophilic surface: 109.158
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.