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PUBCHEM-ZINC05821826

 MMsINC code: MMs03400853
Type: Neutral
Formula: C10H23O5P
SMILES:   P(OCCOCC(CCCC)CC)(O)(O)=O
InChI:   InChI=1/C10H23O5P/c1-3-5-6-10(4-2)9-14-7-8-15-16(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=-45.4488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.263 g/mol  logS: -2.10985  SlogP: 1.2585  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.049325  Sterimol/B1: 2.8927  Sterimol/B2: 3.31512  Sterimol/B3: 3.62659
  Sterimol/B4: 5.07228  Sterimol/L: 16.7382 
 
 Surface and Volume Properties
  Accessible surface: 507.362  Positive charged surface: 371.352  Negative charged surface: 136.01  Volume: 245.375
  Hydrophobic surface: 329.703  Hydrophilic surface: 177.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03400854
PUBCHEM-ZINC05821826