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DSC-ZINC02560516

 MMsINC code: MMs01221733
Type: Neutral
Formula: C6H14O5P2
SMILES:   P(OCC)(OCC)OP1OCCO1
InChI:   InChI=1/C6H14O5P2/c1-3-7-12(8-4-2)11-13-9-5-6-10-13/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.8268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.121 g/mol  logS: -1.10092  SlogP: 2.5766  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0805531  Sterimol/B1: 2.51053  Sterimol/B2: 2.82562  Sterimol/B3: 4.1086
  Sterimol/B4: 6.91411  Sterimol/L: 12.7717 
 
 Surface and Volume Properties
  Accessible surface: 444.695  Positive charged surface: 360.361  Negative charged surface: 84.3341  Volume: 195.5
  Hydrophobic surface: 311.264  Hydrophilic surface: 133.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: no related molecules available.