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PUBCHEM-ZINC05711332

 MMsINC code: MMs03355358
Type: Neutral
Formula: C18H33O5P
SMILES:   P(OC1C=C(C(C)(C)C)C(O)C(=C1)C(C)(C)C)(OCC)(OCC)=O
InChI:   InChI=1/C18H33O5P/c1-9-21-24(20,22-10-2)23-13-11-14(17(3,4)5)16(19)15(12-13)18(6,7)8/h11-13,16,19H,9-10H2,1-8H3/t13-,16-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.431 g/mol  logS: -4.60352  SlogP: 3.802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140709  Sterimol/B1: 2.33104  Sterimol/B2: 3.48644  Sterimol/B3: 5.30128
  Sterimol/B4: 8.366  Sterimol/L: 14.4948 
 
 Surface and Volume Properties
  Accessible surface: 636.777  Positive charged surface: 436.298  Negative charged surface: 200.48  Volume: 361.875
  Hydrophobic surface: 424.21  Hydrophilic surface: 212.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.