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PUBCHEM-ZINC05955511

 MMsINC code: MMs03459142
Type: Neutral
Formula: C6H16O3P2
SMILES:   P(OP(=O)(CC)C)(=O)(CC)C
InChI:   InChI=1/C6H16O3P2/c1-5-10(3,7)9-11(4,8)6-2/h5-6H2,1-4H3/t10-,11+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.139 g/mol  logS: 0.36512  SlogP: 0.7182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125213  Sterimol/B1: 2.10375  Sterimol/B2: 3.06107  Sterimol/B3: 3.62932
  Sterimol/B4: 6.32131  Sterimol/L: 10.3969 
 
 Surface and Volume Properties
  Accessible surface: 396.622  Positive charged surface: 247.761  Negative charged surface: 148.861  Volume: 183.875
  Hydrophobic surface: 259.638  Hydrophilic surface: 136.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.