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NCID-ZINC05049082

 MMsINC code: MMs02433013
Type: Neutral
Formula: C11H15O5PS
SMILES:   S(=O)(=O)(\C=C/P(OC)(OC)=O)c1ccc(cc1)C
InChI:   InChI=1/C11H15O5PS/c1-10-4-6-11(7-5-10)18(13,14)9-8-17(12,15-2)16-3/h4-9H,1-3H3/b9-8-

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Potential Energy
Epot(MMFF94)=115.356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.276 g/mol  logS: -2.05965  SlogP: 1.65562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0929525  Sterimol/B1: 2.42334  Sterimol/B2: 2.72345  Sterimol/B3: 3.81835
  Sterimol/B4: 7.35376  Sterimol/L: 12.5537 
 
 Surface and Volume Properties
  Accessible surface: 445.329  Positive charged surface: 265.098  Negative charged surface: 180.23  Volume: 241.625
  Hydrophobic surface: 344.81  Hydrophilic surface: 100.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.