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IFLAB-ZINC00308895

 MMsINC code: MMs01978168
Type: Neutral
Formula: C8H10INO2S
SMILES:   Ic1ccc(S(=O)(=O)N(C)C)cc1
InChI:   InChI=1/C8H10INO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.1844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.143 g/mol  logS: -2.28996  SlogP: 1.5415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13585  Sterimol/B1: 2.34963  Sterimol/B2: 2.9587  Sterimol/B3: 4.32353
  Sterimol/B4: 4.88747  Sterimol/L: 12.4086 
 
 Surface and Volume Properties
  Accessible surface: 407.384  Positive charged surface: 198.514  Negative charged surface: 208.87  Volume: 202.375
  Hydrophobic surface: 352.03  Hydrophilic surface: 55.354
 
 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.