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PHARMEK-ZINC01279872

 MMsINC code: MMs02620670
Type: Neutral
Formula: C11H19O7PS
SMILES:   S=P1(OC(C(OC(C)C)=O)C(O1)C(OC(C)C)=O)OC
InChI:   InChI=1/C11H19O7PS/c1-6(2)15-10(12)8-9(11(13)16-7(3)4)18-19(20,14-5)17-8/h6-9H,1-5H3/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=31.7018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.306 g/mol  logS: -3.39324  SlogP: 1.5445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156719  Sterimol/B1: 2.15928  Sterimol/B2: 2.19847  Sterimol/B3: 5.62551
  Sterimol/B4: 8.00593  Sterimol/L: 13.4245 
 
 Surface and Volume Properties
  Accessible surface: 535.237  Positive charged surface: 323.178  Negative charged surface: 212.059  Volume: 279.375
  Hydrophobic surface: 303.028  Hydrophilic surface: 232.209
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.