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PUBCHEM-ZINC05298500

 MMsINC code: MMs03235285
Type: Neutral
Formula: C17H38O2P2
SMILES:   P(=O)(CCCC)(CCCC)CP(=O)(CCCC)CCCC
InChI:   InChI=1/C17H38O2P2/c1-5-9-13-20(18,14-10-6-2)17-21(19,15-11-7-3)16-12-8-4/h5-17H2,1-4H3

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Potential Energy
Epot(MMFF94)=16.2732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.437 g/mol  logS: -2.49628  SlogP: 4.7301  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111454  Sterimol/B1: 2.45471  Sterimol/B2: 2.56427  Sterimol/B3: 5.23594
  Sterimol/B4: 11.7765  Sterimol/L: 18.0623 
 
 Surface and Volume Properties
  Accessible surface: 672.235  Positive charged surface: 516.266  Negative charged surface: 155.969  Volume: 369.375
  Hydrophobic surface: 564.34  Hydrophilic surface: 107.895
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.