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ASINEX-ZINC00432137

 MMsINC code: MMs00134656
Type: Ionized
Formula: C14H12NO3S-
SMILES:   s1c(NC(=O)c2ccccc2)c(cc1CC)C(=O)[O-]
InChI:   InChI=1/C14H13NO3S/c1-2-10-8-11(14(17)18)13(19-10)15-12(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16)(H,17,18)/p-1

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Potential Energy
Epot(MMFF94)=32.6912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.32 g/mol  logS: -4.06489  SlogP: 1.92627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318105  Sterimol/B1: 2.14765  Sterimol/B2: 2.9693  Sterimol/B3: 3.52217
  Sterimol/B4: 6.52502  Sterimol/L: 15.7883 
 
 Surface and Volume Properties
  Accessible surface: 485.425  Positive charged surface: 258.694  Negative charged surface: 226.731  Volume: 247.5
  Hydrophobic surface: 346.029  Hydrophilic surface: 139.396
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00134655
ASINEX-ZINC00432137