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NCID-ZINC00156867

 MMsINC code: MMs02213614
Type: Neutral
Formula: C8H11NO2S
SMILES:   S(=O)(=O)(N(C)C)c1ccccc1
InChI:   InChI=1/C8H11NO2S/c1-9(2)12(10,11)8-6-4-3-5-7-8/h3-7H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.6494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.247 g/mol  logS: -1.29844  SlogP: 0.9369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138887  Sterimol/B1: 2.29827  Sterimol/B2: 2.34926  Sterimol/B3: 4.28962
  Sterimol/B4: 4.88727  Sterimol/L: 10.6804 
 
 Surface and Volume Properties
  Accessible surface: 363.107  Positive charged surface: 230.129  Negative charged surface: 132.978  Volume: 172.625
  Hydrophobic surface: 307.293  Hydrophilic surface: 55.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.