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PUBCHEM-ZINC05514754

 MMsINC code: MMs03294202
Type: Neutral
Formula: C22H39O4P
SMILES:   P(Oc1ccccc1)(OCC(CCCC)CC)(OCC(CCCC)CC)=O
InChI:   InChI=1/C22H39O4P/c1-5-9-14-20(7-3)18-24-27(23,26-22-16-12-11-13-17-22)25-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3/t20-,21+,27+

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Potential Energy
Epot(MMFF94)=49.3526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.524 g/mol  logS: -7.15128  SlogP: 6.5693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0725329  Sterimol/B1: 3.67294  Sterimol/B2: 3.79051  Sterimol/B3: 5.00726
  Sterimol/B4: 8.57375  Sterimol/L: 20.4864 
 
 Surface and Volume Properties
  Accessible surface: 714.915  Positive charged surface: 506.992  Negative charged surface: 207.923  Volume: 421.875
  Hydrophobic surface: 587.969  Hydrophilic surface: 126.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.