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ASINEX-ZINC00029190

 MMsINC code: MMs00059683
Type: Neutral
Formula: C9H13NO3S
SMILES:   S(=O)(=O)(N(C)C)c1ccc(OC)cc1
InChI:   InChI=1/C9H13NO3S/c1-10(2)14(11,12)9-6-4-8(13-3)5-7-9/h4-7H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.273 g/mol  logS: -1.34882  SlogP: 0.9455  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0954256  Sterimol/B1: 2.15448  Sterimol/B2: 2.63498  Sterimol/B3: 4.39706
  Sterimol/B4: 5.74089  Sterimol/L: 12.5374 
 
 Surface and Volume Properties
  Accessible surface: 406.622  Positive charged surface: 289.49  Negative charged surface: 117.132  Volume: 195.125
  Hydrophobic surface: 340.613  Hydrophilic surface: 66.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.