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ENAMINE-ZINC00242822

 MMsINC code: MMs01227480
Type: Neutral
Formula: C10H15NO2S
SMILES:   S(=O)(=O)(NC(C)(C)C)c1ccccc1
InChI:   InChI=1/C10H15NO2S/c1-10(2,3)11-14(12,13)9-7-5-4-6-8-9/h4-8,11H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.8485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.301 g/mol  logS: -2.20449  SlogP: 1.7634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.235623  Sterimol/B1: 2.77211  Sterimol/B2: 3.62829  Sterimol/B3: 4.03413
  Sterimol/B4: 4.88211  Sterimol/L: 11.1842 
 
 Surface and Volume Properties
  Accessible surface: 393.813  Positive charged surface: 226.225  Negative charged surface: 167.588  Volume: 201.75
  Hydrophobic surface: 276.012  Hydrophilic surface: 117.801
 
 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.