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NCID-ZINC05063082

 MMsINC code: MMs02434860
Type: Neutral
Formula: C5H11O4P
SMILES:   P(OC)(OC)(=O)CC1OC1
InChI:   InChI=1/C5H11O4P/c1-7-10(6,8-2)4-5-3-9-5/h5H,3-4H2,1-2H3/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.99 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.113 g/mol  logS: 0.09714  SlogP: -0.1991  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0816525  Sterimol/B1: 2.41425  Sterimol/B2: 2.71974  Sterimol/B3: 3.65437
  Sterimol/B4: 5.55472  Sterimol/L: 10.7725 
 
 Surface and Volume Properties
  Accessible surface: 350.371  Positive charged surface: 246.106  Negative charged surface: 104.266  Volume: 147.875
  Hydrophobic surface: 284.28  Hydrophilic surface: 66.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.