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PUBCHEM-ZINC03160272

 MMsINC code: MMs03003255
Type: Neutral
Formula: C12H23O4P
SMILES:   P(OCC)(=O)(C(=O)C(C)(C)C)C(=O)C(C)(C)C
InChI:   InChI=1/C12H23O4P/c1-8-16-17(15,9(13)11(2,3)4)10(14)12(5,6)7/h8H2,1-7H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.6637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.286 g/mol  logS: -1.68399  SlogP: 2.3762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158678  Sterimol/B1: 2.29463  Sterimol/B2: 3.59851  Sterimol/B3: 3.64466
  Sterimol/B4: 8.37802  Sterimol/L: 12.4812 
 
 Surface and Volume Properties
  Accessible surface: 482.96  Positive charged surface: 311.859  Negative charged surface: 171.101  Volume: 262.375
  Hydrophobic surface: 309.302  Hydrophilic surface: 173.658
 
 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.