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PUBCHEM-ZINC05821548

 MMsINC code: MMs03400580
Type: Neutral
Formula: C8H19O5P
SMILES:   P(OCCCC)(OCCOCC)(O)=O
InChI:   InChI=1/C8H19O5P/c1-3-5-6-12-14(9,10)13-8-7-11-4-2/h3-8H2,1-2H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=-30.5471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.209 g/mol  logS: -1.03481  SlogP: 0.8864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0409913  Sterimol/B1: 2.64236  Sterimol/B2: 2.97855  Sterimol/B3: 4.01314
  Sterimol/B4: 6.35671  Sterimol/L: 15.5457 
 
 Surface and Volume Properties
  Accessible surface: 500.881  Positive charged surface: 374.539  Negative charged surface: 126.341  Volume: 214.75
  Hydrophobic surface: 354.102  Hydrophilic surface: 146.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03400581
PUBCHEM-ZINC05821548