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NCID-ZINC01863486

 MMsINC code: MMs02374555
Type: Neutral
Formula: C7H17O4P
SMILES:   P(OC)(OC)(=O)C(O)CC(C)C
InChI:   InChI=1/C7H17O4P/c1-6(2)5-7(8)12(9,10-3)11-4/h6-8H,5H2,1-4H3/t7-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.4955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.183 g/mol  logS: -0.84899  SlogP: 0.7666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123817  Sterimol/B1: 2.74573  Sterimol/B2: 3.87252  Sterimol/B3: 4.24867
  Sterimol/B4: 4.50378  Sterimol/L: 12.1205 
 
 Surface and Volume Properties
  Accessible surface: 404.402  Positive charged surface: 310.402  Negative charged surface: 94  Volume: 188.5
  Hydrophobic surface: 289.093  Hydrophilic surface: 115.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.