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NCID-ZINC01600144

 MMsINC code: MMs02253334
Type: Neutral
Formula: C12H27O4P
SMILES:   P(OCC)(OCC)(=O)C(O)C(CCCC)CC
InChI:   InChI=1/C12H27O4P/c1-5-9-10-11(6-2)12(13)17(14,15-7-3)16-8-4/h11-13H,5-10H2,1-4H3/t11-,12+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.24 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.318 g/mol  logS: -2.73562  SlogP: 2.7171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195358  Sterimol/B1: 2.91338  Sterimol/B2: 3.4057  Sterimol/B3: 5.10649
  Sterimol/B4: 7.18153  Sterimol/L: 14.7481 
 
 Surface and Volume Properties
  Accessible surface: 541.548  Positive charged surface: 392.38  Negative charged surface: 149.168  Volume: 274.625
  Hydrophobic surface: 389.348  Hydrophilic surface: 152.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.