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LOPAC-ZINC04475271

 MMsINC code: MMs02126350
Type: Neutral
Formula: C6H13O5P
SMILES:   P(O)(O)(=O)CCC(C(O)=O)(C)C
InChI:   InChI=1/C6H13O5P/c1-6(2,5(7)8)3-4-12(9,10)11/h3-4H2,1-2H3,(H,7,8)(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-27.6243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.139 g/mol  logS: 0.59591  SlogP: -0.4052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196206  Sterimol/B1: 1.969  Sterimol/B2: 3.35165  Sterimol/B3: 3.69519
  Sterimol/B4: 5.24003  Sterimol/L: 11.7639 
 
 Surface and Volume Properties
  Accessible surface: 370.165  Positive charged surface: 213.936  Negative charged surface: 156.229  Volume: 164.375
  Hydrophobic surface: 117.006  Hydrophilic surface: 253.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs02126351
LOPAC-ZINC04475271