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NCID-ZINC03788670

 MMsINC code: MMs02381017
Type: Neutral
Formula: C26H45NO8
SMILES:   O(C(=O)CCC)C1C(OC(=O)CCC)C(OC(=O)CCC)CN(CCCC)C1COC(=O)CCC
InChI:   InChI=1/C26H45NO8/c1-6-11-16-27-17-20(33-22(29)13-8-3)26(35-24(31)15-10-5)25(34-23(30)14-9-4)19(27)18-32-21(28)12-7-2/h19-20,25-26H,6-18H2,1-5H3/t19-,20+,25-,26-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.7856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 499.645 g/mol  logS: -5.21155  SlogP: 3.9497  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.136072  Sterimol/B1: 2.24272  Sterimol/B2: 3.45239  Sterimol/B3: 5.62828
  Sterimol/B4: 15.4779  Sterimol/L: 18.0867 
 
 Surface and Volume Properties
  Accessible surface: 915.25  Positive charged surface: 674.219  Negative charged surface: 241.031  Volume: 507.125
  Hydrophobic surface: 709.446  Hydrophilic surface: 205.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.