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APOLLO-ZINC02569176

 MMsINC code: MMs00054423
Type: Ionized
Formula: C8H16O5P-
SMILES:   P(OCC)(OCC)(=O)CCCC(=O)[O-]
InChI:   InChI=1/C8H17O5P/c1-3-12-14(11,13-4-2)7-5-6-8(9)10/h3-7H2,1-2H3,(H,9,10)/p-1

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Potential Energy
Epot(MMFF94)=-7.18484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.185 g/mol  logS: -0.60578  SlogP: -0.2876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.088027  Sterimol/B1: 2.3731  Sterimol/B2: 2.42736  Sterimol/B3: 4.48949
  Sterimol/B4: 7.25052  Sterimol/L: 14.1249 
 
 Surface and Volume Properties
  Accessible surface: 456.906  Positive charged surface: 295.654  Negative charged surface: 161.252  Volume: 206.75
  Hydrophobic surface: 274.495  Hydrophilic surface: 182.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs00054422
APOLLO-ZINC02569176