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KEYORGANICS-ZINC01399282

 MMsINC code: MMs02105363
Type: Neutral
Formula: C14H13NO3S
SMILES:   s1ccc(NC(=O)c2ccc(cc2)C)c1C(OC)=O
InChI:   InChI=1/C14H13NO3S/c1-9-3-5-10(6-4-9)13(16)15-11-7-8-19-12(11)14(17)18-2/h3-8H,1-2H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=64.2456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.328 g/mol  logS: -4.01719  SlogP: 3.09542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00791158  Sterimol/B1: 2.40815  Sterimol/B2: 2.51871  Sterimol/B3: 3.57102
  Sterimol/B4: 6.78767  Sterimol/L: 14.8753 
 
 Surface and Volume Properties
  Accessible surface: 506.062  Positive charged surface: 283.837  Negative charged surface: 222.225  Volume: 250.875
  Hydrophobic surface: 442.263  Hydrophilic surface: 63.799
 
 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.