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APOLLO-ZINC02569176

 MMsINC code: MMs00054422
Type: Neutral
Formula: C8H17O5P
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)

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Potential Energy
Epot(MMFF94)=-0.151946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.193 g/mol  logS: -0.34533  SlogP: 1.0471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0617752  Sterimol/B1: 2.11715  Sterimol/B2: 2.56278  Sterimol/B3: 4.08016
  Sterimol/B4: 7.95043  Sterimol/L: 14.4673 
 
 Surface and Volume Properties
  Accessible surface: 467.593  Positive charged surface: 321.048  Negative charged surface: 146.545  Volume: 206.5
  Hydrophobic surface: 284.367  Hydrophilic surface: 183.226
 
 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


MMs00054423
APOLLO-ZINC02569176