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CHEMDIV-ZINC02928449

 MMsINC code: MMs00893087
Type: Neutral
Formula: C24H32N2O3
SMILES:   O(C(=O)c1cc(n(CC(=O)NC2CCCCCCC2)c1C)-c1ccccc1)CC
InChI:   InChI=1/C24H32N2O3/c1-3-29-24(28)21-16-22(19-12-8-7-9-13-19)26(18(21)2)17-23(27)25-20-14-10-5-4-6-11-15-20/h7-9,12-13,16,20H,3-6,10-11,14-15,17H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.531 g/mol  logS: -5.81377  SlogP: 5.13572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0957052  Sterimol/B1: 2.97165  Sterimol/B2: 3.06038  Sterimol/B3: 5.98915
  Sterimol/B4: 9.41568  Sterimol/L: 17.86 
 
 Surface and Volume Properties
  Accessible surface: 704.339  Positive charged surface: 473.755  Negative charged surface: 230.584  Volume: 406
  Hydrophobic surface: 614.1  Hydrophilic surface: 90.239
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.