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PUBCHEM-ZINC05293954

 MMsINC code: MMs03234237
Type: Neutral
Formula: C17H29O3P
SMILES:   P(OCCC(C)C)(OCCC(C)C)(=O)Cc1ccccc1
InChI:   InChI=1/C17H29O3P/c1-15(2)10-12-19-21(18,20-13-11-16(3)4)14-17-8-6-5-7-9-17/h5-9,15-16H,10-14H2,1-4H3

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Potential Energy
Epot(MMFF94)=45.6925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.39 g/mol  logS: -4.49812  SlogP: 4.7013  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108666  Sterimol/B1: 2.73681  Sterimol/B2: 3.96974  Sterimol/B3: 4.25666
  Sterimol/B4: 8.6575  Sterimol/L: 16.3477 
 
 Surface and Volume Properties
  Accessible surface: 627.802  Positive charged surface: 426.356  Negative charged surface: 201.446  Volume: 331.125
  Hydrophobic surface: 520.365  Hydrophilic surface: 107.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.