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PUBCHEM-ZINC05481759

 MMsINC code: MMs03281990
Type: Neutral
Formula: C14H23O4P
SMILES:   P(Oc1ccccc1)(OCC(C)C)(OCC(C)C)=O
InChI:   InChI=1/C14H23O4P/c1-12(2)10-16-19(15,17-11-13(3)4)18-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3

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Potential Energy
Epot(MMFF94)=25.8195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.308 g/mol  logS: -3.02952  SlogP: 3.4485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0803966  Sterimol/B1: 2.17014  Sterimol/B2: 4.37681  Sterimol/B3: 5.38365
  Sterimol/B4: 6.33939  Sterimol/L: 15.0255 
 
 Surface and Volume Properties
  Accessible surface: 537.301  Positive charged surface: 345.138  Negative charged surface: 192.163  Volume: 288.75
  Hydrophobic surface: 416.534  Hydrophilic surface: 120.767
 
 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.