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NCID-ZINC04897242

 MMsINC code: MMs02414262
Type: Neutral
Formula: C26H46O6
SMILES:   O1CCCC1CCC(OC(=O)CCCCCCCCC(OC(CCC1OCCC1)C)=O)C
InChI:   InChI=1/C26H46O6/c1-21(15-17-23-11-9-19-29-23)31-25(27)13-7-5-3-4-6-8-14-26(28)32-22(2)16-18-24-12-10-20-30-24/h21-24H,3-20H2,1-2H3/t21-,22+,23-,24+

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Potential Energy
Epot(MMFF94)=46.5668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.648 g/mol  logS: -5.48668  SlogP: 5.889  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0140477  Sterimol/B1: 2.0323  Sterimol/B2: 3.37468  Sterimol/B3: 3.87089
  Sterimol/B4: 9.36124  Sterimol/L: 27.8769 
 
 Surface and Volume Properties
  Accessible surface: 925.038  Positive charged surface: 740.264  Negative charged surface: 184.774  Volume: 484.375
  Hydrophobic surface: 808.812  Hydrophilic surface: 116.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.