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NCID-ZINC01578261

 MMsINC code: MMs02236347
Type: Neutral
Formula: C6H13O5P
SMILES:   P(OC)(O)(=O)CC(C(OC)=O)C
InChI:   InChI=1/C6H13O5P/c1-5(6(7)10-2)4-12(8,9)11-3/h5H,4H2,1-3H3,(H,8,9)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-7.78913 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.139 g/mol  logS: 0.24194  SlogP: -0.4429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607412  Sterimol/B1: 1.969  Sterimol/B2: 2.9521  Sterimol/B3: 3.57061
  Sterimol/B4: 4.9032  Sterimol/L: 13.381 
 
 Surface and Volume Properties
  Accessible surface: 389.421  Positive charged surface: 288.702  Negative charged surface: 100.72  Volume: 171.375
  Hydrophobic surface: 263.655  Hydrophilic surface: 125.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.