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IBS-ZINC02324296

 MMsINC code: MMs01832460
Type: Neutral
Formula: C16H27O5P
SMILES:   P(OCC)(OCC)(=O)Cc1c(C(=O)CCCC)c(oc1C)C
InChI:   InChI=1/C16H27O5P/c1-6-9-10-15(17)16-13(5)21-12(4)14(16)11-22(18,19-7-2)20-8-3/h6-11H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.9757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.361 g/mol  logS: -3.80361  SlogP: 4.23164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.231587  Sterimol/B1: 2.26884  Sterimol/B2: 3.06635  Sterimol/B3: 6.09434
  Sterimol/B4: 9.44921  Sterimol/L: 14.6438 
 
 Surface and Volume Properties
  Accessible surface: 613.493  Positive charged surface: 430.387  Negative charged surface: 183.106  Volume: 328.375
  Hydrophobic surface: 505.535  Hydrophilic surface: 107.958
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.