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NCID-ZINC05385144

 MMsINC code: MMs02457131
Type: Neutral
Formula: C26H49O4P
SMILES:   P(OCC(C)(C)C)(OCC(C)(C)C)(OCC(C)(C)C)(OCC(C)(C)C)c1ccccc1
InChI:   InChI=1/C26H49O4P/c1-23(2,3)18-27-31(28-19-24(4,5)6,29-20-25(7,8)9,30-21-26(10,11)12)22-16-14-13-15-17-22/h13-17H,18-21H2,1-12H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=216.574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.648 g/mol  logS: -5.56316  SlogP: 7.776  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.576213  Sterimol/B1: 3.265  Sterimol/B2: 4.9916  Sterimol/B3: 7.02819
  Sterimol/B4: 11.4055  Sterimol/L: 14.4633 
 
 Surface and Volume Properties
  Accessible surface: 747.268  Positive charged surface: 531.937  Negative charged surface: 215.33  Volume: 511.625
  Hydrophobic surface: 578.838  Hydrophilic surface: 168.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.