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IFLAB-ZINC00145677

 MMsINC code: MMs01975457
Type: Neutral
Formula: C11H14N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)C=C(C)C)cc1
InChI:   InChI=1/C11H14N2O3S/c1-8(2)7-11(14)13-9-3-5-10(6-4-9)17(12,15)16/h3-7H,1-2H3,(H,13,14)(H2,12,15,16)

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Potential Energy
Epot(MMFF94)=33.8648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.31 g/mol  logS: -2.97061  SlogP: 1.2387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0432213  Sterimol/B1: 2.53388  Sterimol/B2: 2.60417  Sterimol/B3: 3.68446
  Sterimol/B4: 5.3795  Sterimol/L: 15.6923 
 
 Surface and Volume Properties
  Accessible surface: 470.855  Positive charged surface: 266.997  Negative charged surface: 203.859  Volume: 227.5
  Hydrophobic surface: 300.005  Hydrophilic surface: 170.85
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs01975458
IFLAB-ZINC00145677