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PUBCHEM-ZINC05820557

 MMsINC code: MMs03399532
Type: Neutral
Formula: C10H23O4P
SMILES:   P(OC(CCCCCC)CCC)(O)(O)=O
InChI:   InChI=1/C10H23O4P/c1-3-5-6-7-9-10(8-4-2)14-15(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=-67.8441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.264 g/mol  logS: -2.80964  SlogP: 2.1646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435485  Sterimol/B1: 2.68386  Sterimol/B2: 3.11371  Sterimol/B3: 3.78311
  Sterimol/B4: 5.71464  Sterimol/L: 15.9736 
 
 Surface and Volume Properties
  Accessible surface: 492.716  Positive charged surface: 348.04  Negative charged surface: 144.676  Volume: 237.25
  Hydrophobic surface: 323.125  Hydrophilic surface: 169.591
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03399533
PUBCHEM-ZINC05820557