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ASINEX-ZINC03013913

 MMsINC code: MMs00283446
Type: Neutral
Formula: C5H11O6P
SMILES:   P(OCC(OC)=O)(OC)(OC)=O
InChI:   InChI=1/C5H11O6P/c1-8-5(6)4-11-12(7,9-2)10-3/h4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.3983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.111 g/mol  logS: -0.27411  SlogP: -0.4933  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0695454  Sterimol/B1: 2.6343  Sterimol/B2: 3.25085  Sterimol/B3: 3.80831
  Sterimol/B4: 4.69035  Sterimol/L: 13.0021 
 
 Surface and Volume Properties
  Accessible surface: 398.212  Positive charged surface: 304.16  Negative charged surface: 94.052  Volume: 164.625
  Hydrophobic surface: 287.972  Hydrophilic surface: 110.24
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.