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AURORAFEINCHEMIE-ZINC03956960

 MMsINC code: MMs00458681
Type: Neutral
Formula: C6H15O3P
SMILES:   P(C(O)C)(C(O)C)C(O)C
InChI:   InChI=1/C6H15O3P/c1-4(7)10(5(2)8)6(3)9/h4-9H,1-3H3/t4-,5-,6+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.6309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.157 g/mol  logS: 0.73206  SlogP: 0.4832  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.291281  Sterimol/B1: 2.17559  Sterimol/B2: 3.14573  Sterimol/B3: 3.2965
  Sterimol/B4: 6.62235  Sterimol/L: 9.21995 
 
 Surface and Volume Properties
  Accessible surface: 347.534  Positive charged surface: 238.392  Negative charged surface: 109.142  Volume: 162.25
  Hydrophobic surface: 162.339  Hydrophilic surface: 185.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.