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ALFAAESAR-ZINC02560541

 MMsINC code: MMs00023755
Type: Neutral
Formula: C5H14O6P2
SMILES:   P(OC)(OC)(=O)CP(OC)(OC)=O
InChI:   InChI=1/C5H14O6P2/c1-8-12(6,9-2)5-13(7,10-3)11-4/h5H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.854462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.109 g/mol  logS: 0.66228  SlogP: -0.2247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0599857  Sterimol/B1: 2.42173  Sterimol/B2: 2.94528  Sterimol/B3: 3.50395
  Sterimol/B4: 5.85415  Sterimol/L: 12.6632 
 
 Surface and Volume Properties
  Accessible surface: 411.784  Positive charged surface: 338.36  Negative charged surface: 73.4246  Volume: 189.875
  Hydrophobic surface: 341.521  Hydrophilic surface: 70.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.