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PUBCHEM-ZINC05963681

 MMsINC code: MMs03464061
Type: Neutral
Formula: C24H39NO6
SMILES:   O1CC(C)(C)C(=O)C(=O)N2C(CCCC2)C(OCCCCCCCCCCCC1=O)=O
InChI:   InChI=1/C24H39NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h19H,3-18H2,1-2H3/t19-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=185.006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.577 g/mol  logS: -5.57181  SlogP: 3.9638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0684395  Sterimol/B1: 2.09182  Sterimol/B2: 3.31226  Sterimol/B3: 5.33906
  Sterimol/B4: 9.83186  Sterimol/L: 16.3856 
 
 Surface and Volume Properties
  Accessible surface: 713.977  Positive charged surface: 539.038  Negative charged surface: 174.939  Volume: 440
  Hydrophobic surface: 602.756  Hydrophilic surface: 111.221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.