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PUBCHEM-ZINC06402399

 MMsINC code: MMs03707584
Type: Neutral
Formula: C15H19O4P
SMILES:   P(OCC)(OCC)(=O)C(O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C15H19O4P/c1-3-18-20(17,19-4-2)15(16)14-11-7-9-12-8-5-6-10-13(12)14/h5-11,15-16H,3-4H2,1-2H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=86.9387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.287 g/mol  logS: -3.58977  SlogP: 3.1221  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102573  Sterimol/B1: 2.35563  Sterimol/B2: 3.69013  Sterimol/B3: 3.95656
  Sterimol/B4: 7.38948  Sterimol/L: 15.0779 
 
 Surface and Volume Properties
  Accessible surface: 537.099  Positive charged surface: 328.48  Negative charged surface: 198.373  Volume: 277.75
  Hydrophobic surface: 423.02  Hydrophilic surface: 114.079
 
 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.