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DSC-ZINC04352578

 MMsINC code: MMs01221798
Type: Neutral
Formula: C16H17O5P
SMILES:   P(OCc1ccccc1)(OCc1ccccc1)(=O)CC(O)=O
InChI:   InChI=1/C16H17O5P/c17-16(18)13-22(19,20-11-14-7-3-1-4-8-14)21-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=26.4452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.281 g/mol  logS: -3.14302  SlogP: 3.1603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150561  Sterimol/B1: 2.53939  Sterimol/B2: 4.16493  Sterimol/B3: 4.47027
  Sterimol/B4: 7.31251  Sterimol/L: 15.5276 
 
 Surface and Volume Properties
  Accessible surface: 575.747  Positive charged surface: 313.405  Negative charged surface: 262.342  Volume: 294.5
  Hydrophobic surface: 443.695  Hydrophilic surface: 132.052
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs01221799
DSC-ZINC04352578