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CHEMDIV-ZINC05172208

 MMsINC code: MMs00993803
Type: Neutral
Formula: C24H28N2O4
SMILES:   O=C1N(CC(C1)C(=O)Nc1ccc(cc1)C(OCCCC)=O)c1ccc(cc1)CC
InChI:   InChI=1/C24H28N2O4/c1-3-5-14-30-24(29)18-8-10-20(11-9-18)25-23(28)19-15-22(27)26(16-19)21-12-6-17(4-2)7-13-21/h6-13,19H,3-5,14-16H2,1-2H3,(H,25,28)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.6291 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -5.67972  SlogP: 4.19747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0460303  Sterimol/B1: 3.05307  Sterimol/B2: 4.8681  Sterimol/B3: 5.49345
  Sterimol/B4: 7.17438  Sterimol/L: 22.6762 
 
 Surface and Volume Properties
  Accessible surface: 749.894  Positive charged surface: 497.196  Negative charged surface: 252.699  Volume: 405.25
  Hydrophobic surface: 599.259  Hydrophilic surface: 150.635
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.