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PUBCHEM-ZINC06381174

 MMsINC code: MMs03695402
Type: Ionized
Formula: C5H10O5P-
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)/p-1/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-65.1389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.104 g/mol  logS: -0.22151  SlogP: -1.9875  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186091  Sterimol/B1: 2.76489  Sterimol/B2: 3.07513  Sterimol/B3: 3.1889
  Sterimol/B4: 5.22146  Sterimol/L: 10.7612 
 
 Surface and Volume Properties
  Accessible surface: 345.502  Positive charged surface: 178.715  Negative charged surface: 166.787  Volume: 145
  Hydrophobic surface: 123.397  Hydrophilic surface: 222.105
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs03695401
PUBCHEM-ZINC06381174