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ENAMINE-ZINC03379297

 MMsINC code: MMs01405866
Type: Neutral
Formula: C8H11NO3S
SMILES:   S(=O)(=O)(NC)c1ccc(OC)cc1
InChI:   InChI=1/C8H11NO3S/c1-9-13(10,11)8-5-3-7(12-2)4-6-8/h3-6,9H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.1251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.246 g/mol  logS: -1.27324  SlogP: 0.6033  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0956659  Sterimol/B1: 2.14829  Sterimol/B2: 2.3518  Sterimol/B3: 4.57719
  Sterimol/B4: 5.40118  Sterimol/L: 11.743 
 
 Surface and Volume Properties
  Accessible surface: 379.444  Positive charged surface: 253.37  Negative charged surface: 126.074  Volume: 175.5
  Hydrophobic surface: 278.587  Hydrophilic surface: 100.857
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.