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ENAMINE-ZINC01865381

 MMsINC code: MMs01245134
Type: Neutral
Formula: C11H11NO2S
SMILES:   S(=O)(=O)(NC)c1cc2c(cc1)cccc2
InChI:   InChI=1/C11H11NO2S/c1-12-15(13,14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.1627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.28 g/mol  logS: -3.10074  SlogP: 1.7479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.088655  Sterimol/B1: 2.37541  Sterimol/B2: 2.78853  Sterimol/B3: 4.71306
  Sterimol/B4: 5.5784  Sterimol/L: 11.8349 
 
 Surface and Volume Properties
  Accessible surface: 410.518  Positive charged surface: 226.055  Negative charged surface: 173.354  Volume: 200.5
  Hydrophobic surface: 320.05  Hydrophilic surface: 90.468
 
 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.