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NCID-ZINC05851751

 MMsINC code: MMs02508039
Type: Neutral
Formula: C26H37O9P
SMILES:   P(OC(C)C)(OC(C)C)(=O)c1cc2OCCOCCOc3c(OCCOCCOc2cc1)cccc3
InChI:   InChI=1/C26H37O9P/c1-20(2)34-36(27,35-21(3)4)22-9-10-25-26(19-22)33-18-14-29-12-16-31-24-8-6-5-7-23(24)30-15-11-28-13-17-32-25/h5-10,19-21H,11-18H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 524.547 g/mol  logS: -5.17406  SlogP: 3.547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0396354  Sterimol/B1: 2.70575  Sterimol/B2: 4.8835  Sterimol/B3: 5.20659
  Sterimol/B4: 6.86101  Sterimol/L: 21.9748 
 
 Surface and Volume Properties
  Accessible surface: 835.318  Positive charged surface: 607.52  Negative charged surface: 227.799  Volume: 500.125
  Hydrophobic surface: 711.529  Hydrophilic surface: 123.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 9  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: 0
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Ions/Tautomers related molecules: no related molecules available.