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PUBCHEM-ZINC02169092

 MMsINC code: MMs02879647
Type: Neutral
Formula: C6H16O2P2
SMILES:   P(=O)(CCP(=O)(C)C)(C)C
InChI:   InChI=1/C6H16O2P2/c1-9(2,7)5-6-10(3,4)8/h5-6H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.14 g/mol  logS: 1.38602  SlogP: 0.0914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172703  Sterimol/B1: 2.22271  Sterimol/B2: 2.32686  Sterimol/B3: 4.51077
  Sterimol/B4: 4.72671  Sterimol/L: 11.9173 
 
 Surface and Volume Properties
  Accessible surface: 396.322  Positive charged surface: 244.75  Negative charged surface: 151.572  Volume: 179.25
  Hydrophobic surface: 249.067  Hydrophilic surface: 147.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.