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BACHEM-ZINC04899662

 MMsINC code: MMs00485171
Type: Neutral
Formula: C24H24N2O3
SMILES:   OC(=O)C(N)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O3/c25-21(23(28)29)16-17-22(27)26-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,27)(H,28,29)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -4.8377  SlogP: 3.5983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.304274  Sterimol/B1: 2.52964  Sterimol/B2: 3.0521  Sterimol/B3: 9.05625
  Sterimol/B4: 9.17986  Sterimol/L: 15.6936 
 
 Surface and Volume Properties
  Accessible surface: 654.67  Positive charged surface: 404.7  Negative charged surface: 249.97  Volume: 380.5
  Hydrophobic surface: 497.93  Hydrophilic surface: 156.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.