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IBS-ZINC02261572

 MMsINC code: MMs01817742
Type: Neutral
Formula: C6H16O5P2
SMILES:   P(OCC)(OCC)(=O)CC[PH](O)=O
InChI:   InChI=1/C6H16O5P2/c1-3-10-13(9,11-4-2)6-5-12(7)8/h12H,3-6H2,1-2H3,(H,7,8)

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Potential Energy
Epot(MMFF94)=-12.2505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.137 g/mol  logS: -0.29823  SlogP: -0.4209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775152  Sterimol/B1: 2.05545  Sterimol/B2: 2.59205  Sterimol/B3: 4.1
  Sterimol/B4: 8.0704  Sterimol/L: 13.5549 
 
 Surface and Volume Properties
  Accessible surface: 453.337  Positive charged surface: 279.34  Negative charged surface: 173.997  Volume: 198.75
  Hydrophobic surface: 275.625  Hydrophilic surface: 177.712
 
 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: no related molecules available.