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ENAMINE-ZINC02655181

 MMsINC code: MMs01278336
Type: Neutral
Formula: C11H17NO2S
SMILES:   S(=O)(=O)(NC)c1c(C)c(cc(C)c1C)C
InChI:   InChI=1/C11H17NO2S/c1-7-6-8(2)10(4)11(9(7)3)15(13,14)12-5/h6,12H,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.8073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.328 g/mol  logS: -2.49164  SlogP: 1.82838  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178823  Sterimol/B1: 1.969  Sterimol/B2: 3.49615  Sterimol/B3: 3.68742
  Sterimol/B4: 7.7126  Sterimol/L: 10.8611 
 
 Surface and Volume Properties
  Accessible surface: 412.317  Positive charged surface: 259.749  Negative charged surface: 152.568  Volume: 217.375
  Hydrophobic surface: 340.754  Hydrophilic surface: 71.563
 
 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.