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PUBCHEM-ZINC03626069

 MMsINC code: MMs03025889
Type: Neutral
Formula: C8H17O5P
SMILES:   P(OCCCCCC)(O)(=O)CC(O)=O
InChI:   InChI=1/C8H17O5P/c1-2-3-4-5-6-13-14(11,12)7-8(9)10/h2-7H2,1H3,(H,9,10)(H,11,12)

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Potential Energy
Epot(MMFF94)=-30.7239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.193 g/mol  logS: -1.33668  SlogP: 0.7831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0401805  Sterimol/B1: 2.71282  Sterimol/B2: 2.93262  Sterimol/B3: 3.70201
  Sterimol/B4: 3.81695  Sterimol/L: 16.8832 
 
 Surface and Volume Properties
  Accessible surface: 467.867  Positive charged surface: 318.34  Negative charged surface: 149.526  Volume: 206.375
  Hydrophobic surface: 270.613  Hydrophilic surface: 197.254
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03025890
PUBCHEM-ZINC03626069