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APOLLO-ZINC02567049

 MMsINC code: MMs00054269
Type: Neutral
Formula: C6H15O4P
SMILES:   P(OC)(OC)(=O)C(O)(CC)C
InChI:   InChI=1/C6H15O4P/c1-5-6(2,7)11(8,9-3)10-4/h7H,5H2,1-4H3/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=40.8325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.156 g/mol  logS: -0.32099  SlogP: 0.5206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171649  Sterimol/B1: 3.51085  Sterimol/B2: 3.62932  Sterimol/B3: 3.80738
  Sterimol/B4: 4.18261  Sterimol/L: 10.4728 
 
 Surface and Volume Properties
  Accessible surface: 368.451  Positive charged surface: 286.395  Negative charged surface: 82.0561  Volume: 169.75
  Hydrophobic surface: 270.398  Hydrophilic surface: 98.053
 
 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.