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CHEMBLOCK-ZINC04482210

 MMsINC code: MMs00553682
Type: Neutral
Formula: C8H15O5P
SMILES:   P(OCC)(OCC)(=O)C1(CC1)C(O)=O
InChI:   InChI=1/C8H15O5P/c1-3-12-14(11,13-4-2)8(5-6-8)7(9)10/h3-6H2,1-2H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=15.0865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.177 g/mol  logS: -0.81402  SlogP: 0.7995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238673  Sterimol/B1: 2.27379  Sterimol/B2: 3.80208  Sterimol/B3: 3.99921
  Sterimol/B4: 8.14364  Sterimol/L: 10.3106 
 
 Surface and Volume Properties
  Accessible surface: 432.56  Positive charged surface: 288.431  Negative charged surface: 144.129  Volume: 199.25
  Hydrophobic surface: 241.81  Hydrophilic surface: 190.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00553683
CHEMBLOCK-ZINC04482210