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PUBCHEM-ZINC05781665

 MMsINC code: MMs03383605
Type: Neutral
Formula: C15H19NO7S
SMILES:   s1c(C(OC)=O)c(C)c(C(OC)=O)c1NC(=O)COC(=O)CCC
InChI:   InChI=1/C15H19NO7S/c1-5-6-10(18)23-7-9(17)16-13-11(14(19)21-3)8(2)12(24-13)15(20)22-4/h5-7H2,1-4H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=75.9283 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.383 g/mol  logS: -3.76135  SlogP: 1.91152  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0158825  Sterimol/B1: 2.91302  Sterimol/B2: 3.29357  Sterimol/B3: 5.93611
  Sterimol/B4: 7.68638  Sterimol/L: 17.9907 
 
 Surface and Volume Properties
  Accessible surface: 633.902  Positive charged surface: 438.457  Negative charged surface: 195.445  Volume: 314.75
  Hydrophobic surface: 466.669  Hydrophilic surface: 167.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.