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PUBCHEM-ZINC05835939

 MMsINC code: MMs03407988
Type: Neutral
Formula: C12H19O4P
SMILES:   P(Oc1ccccc1)(OCCC)(OCCC)=O
InChI:   InChI=1/C12H19O4P/c1-3-10-14-17(13,15-11-4-2)16-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3

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Potential Energy
Epot(MMFF94)=16.5258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.254 g/mol  logS: -2.62598  SlogP: 2.9565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052681  Sterimol/B1: 2.78183  Sterimol/B2: 3.09308  Sterimol/B3: 3.76024
  Sterimol/B4: 7.65723  Sterimol/L: 15.0189 
 
 Surface and Volume Properties
  Accessible surface: 509.309  Positive charged surface: 325.328  Negative charged surface: 183.981  Volume: 249.75
  Hydrophobic surface: 413.004  Hydrophilic surface: 96.305
 
 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.