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IBS-ZINC04823098

 MMsINC code: MMs01898906
Type: Neutral
Formula: C15H23O4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(O)\C=C\c1ccccc1
InChI:   InChI=1/C15H23O4P/c1-12(2)18-20(17,19-13(3)4)15(16)11-10-14-8-6-5-7-9-14/h5-13,15-16H,1-4H3/b11-10+/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=70.6584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.319 g/mol  logS: -2.87213  SlogP: 2.9911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0776263  Sterimol/B1: 2.47968  Sterimol/B2: 3.6597  Sterimol/B3: 3.92317
  Sterimol/B4: 7.20048  Sterimol/L: 15.849 
 
 Surface and Volume Properties
  Accessible surface: 560.322  Positive charged surface: 342.543  Negative charged surface: 217.779  Volume: 296.375
  Hydrophobic surface: 413.401  Hydrophilic surface: 146.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.