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MAYBRIDGE-ZINC00073524

 MMsINC code: MMs02127729
Type: Neutral
Formula: C11H16N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)C(C)(C)C)cc1
InChI:   InChI=1/C11H16N2O3S/c1-11(2,3)10(14)13-8-4-6-9(7-5-8)17(12,15)16/h4-7H,1-3H3,(H,13,14)(H2,12,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.9652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.326 g/mol  logS: -2.42625  SlogP: 1.3186  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0694821  Sterimol/B1: 2.41341  Sterimol/B2: 2.62676  Sterimol/B3: 4.10169
  Sterimol/B4: 5.19088  Sterimol/L: 14.4611 
 
 Surface and Volume Properties
  Accessible surface: 465.486  Positive charged surface: 266.672  Negative charged surface: 198.814  Volume: 231.125
  Hydrophobic surface: 256.283  Hydrophilic surface: 209.203
 
 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


MMs02127730
MAYBRIDGE-ZINC00073524