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PUBCHEM-ZINC06381174

 MMsINC code: MMs03695401
Type: Neutral
Formula: C5H11O5P
SMILES:   P(O)(O)(=O)C(CCC)C(O)=O
InChI:   InChI=1/C5H11O5P/c1-2-3-4(5(6)7)11(8,9)10/h4H,2-3H2,1H3,(H,6,7)(H2,8,9,10)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-55.2358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.112 g/mol  logS: 0.03894  SlogP: -0.6528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168391  Sterimol/B1: 2.82678  Sterimol/B2: 2.96642  Sterimol/B3: 3.35919
  Sterimol/B4: 5.6712  Sterimol/L: 10.5411 
 
 Surface and Volume Properties
  Accessible surface: 348.431  Positive charged surface: 209.06  Negative charged surface: 139.371  Volume: 147.875
  Hydrophobic surface: 122.058  Hydrophilic surface: 226.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03695402
PUBCHEM-ZINC06381174