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PUBCHEM-ZINC03100180

 MMsINC code: MMs02993498
Type: Neutral
Formula: C15H17NO3S2
SMILES:   s1c(C)c(CC)c(C(OC)=O)c1NC(=O)Cc1sccc1
InChI:   InChI=1/C15H17NO3S2/c1-4-11-9(2)21-14(13(11)15(18)19-3)16-12(17)8-10-6-5-7-20-10/h5-7H,4,8H2,1-3H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=69.8402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.437 g/mol  logS: -4.55883  SlogP: 3.64816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0554293  Sterimol/B1: 2.81956  Sterimol/B2: 4.31688  Sterimol/B3: 4.75989
  Sterimol/B4: 6.71998  Sterimol/L: 16.0603 
 
 Surface and Volume Properties
  Accessible surface: 569.953  Positive charged surface: 338.941  Negative charged surface: 231.012  Volume: 295.5
  Hydrophobic surface: 487.974  Hydrophilic surface: 81.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.