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PUBCHEM-ZINC05862899

 MMsINC code: MMs03422628
Type: Neutral
Formula: C11H17O3PS2
SMILES:   S(C)c1ccc(OP(=S)(OCC)OC)cc1C
InChI:   InChI=1/C11H17O3PS2/c1-5-13-15(16,12-3)14-10-6-7-11(17-4)9(2)8-10/h6-8H,5H2,1-4H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=52.7464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.36 g/mol  logS: -4.33038  SlogP: 4.00312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0699927  Sterimol/B1: 2.57872  Sterimol/B2: 2.71814  Sterimol/B3: 4.32294
  Sterimol/B4: 5.82139  Sterimol/L: 15.6675 
 
 Surface and Volume Properties
  Accessible surface: 509.436  Positive charged surface: 313.857  Negative charged surface: 195.579  Volume: 262.625
  Hydrophobic surface: 385.203  Hydrophilic surface: 124.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.