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PUBCHEM-ZINC05822158

 MMsINC code: MMs03401158
Type: Neutral
Formula: C22H39O3P
SMILES:   P(Oc1ccccc1)(OCC(CCCC)CC)OCC(CCCC)CC
InChI:   InChI=1/C22H39O3P/c1-5-9-14-20(7-3)18-23-26(25-22-16-12-11-13-17-22)24-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3/t20-,21-/m0/s1

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Potential Energy
Epot(MMFF94)=57.3215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.525 g/mol  logS: -7.30076  SlogP: 7.7583  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.107937  Sterimol/B1: 5.07417  Sterimol/B2: 5.64609  Sterimol/B3: 5.83178
  Sterimol/B4: 7.94949  Sterimol/L: 19.2058 
 
 Surface and Volume Properties
  Accessible surface: 772.279  Positive charged surface: 558.571  Negative charged surface: 213.708  Volume: 418.625
  Hydrophobic surface: 662.275  Hydrophilic surface: 110.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.