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ASINEX-ZINC00027957

 MMsINC code: MMs00059493
Type: Neutral
Formula: C14H15NO3S2
SMILES:   s1c(C)c(CC)c(C(OC)=O)c1NC(=O)c1sccc1
InChI:   InChI=1/C14H15NO3S2/c1-4-9-8(2)20-13(11(9)14(17)18-3)15-12(16)10-6-5-7-19-10/h5-7H,4H2,1-3H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=58.5133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.41 g/mol  logS: -4.49736  SlogP: 3.71929  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0445075  Sterimol/B1: 2.10815  Sterimol/B2: 4.38274  Sterimol/B3: 5.44491
  Sterimol/B4: 5.75189  Sterimol/L: 15.1469 
 
 Surface and Volume Properties
  Accessible surface: 534.177  Positive charged surface: 294.721  Negative charged surface: 239.456  Volume: 278.75
  Hydrophobic surface: 447.893  Hydrophilic surface: 86.284
 
 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.