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PUBCHEM-ZINC06546070

 MMsINC code: MMs03789424
Type: Neutral
Formula: C24H42N2O10
SMILES:   O1CCN(CCOCCOCCN(CCOCC1)C(=O)CCC(OCC)=O)C(=O)CCC(OCC)=O
InChI:   InChI=1/C24H42N2O10/c1-3-35-23(29)7-5-21(27)25-9-13-31-17-19-33-15-11-26(12-16-34-20-18-32-14-10-25)22(28)6-8-24(30)36-4-2/h3-20H2,1-2H3

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Potential Energy
Epot(MMFF94)=125.978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 518.604 g/mol  logS: -1.44154  SlogP: 0.4102  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0697013  Sterimol/B1: 3.15088  Sterimol/B2: 4.93538  Sterimol/B3: 6.48804
  Sterimol/B4: 6.64777  Sterimol/L: 25.7627 
 
 Surface and Volume Properties
  Accessible surface: 885.036  Positive charged surface: 722.222  Negative charged surface: 162.813  Volume: 499.875
  Hydrophobic surface: 699.233  Hydrophilic surface: 185.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.