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MAYBRIDGE-ZINC00173160

 MMsINC code: MMs02147015
Type: Neutral
Formula: C11H10INO2S
SMILES:   Ic1ccc2c(cccc2)c1S(=O)(=O)NC
InChI:   InChI=1/C11H10INO2S/c1-13-16(14,15)11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7,13H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.0084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.176 g/mol  logS: -4.09226  SlogP: 2.3525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138558  Sterimol/B1: 2.33371  Sterimol/B2: 3.27479  Sterimol/B3: 4.70829
  Sterimol/B4: 7.26856  Sterimol/L: 10.3659 
 
 Surface and Volume Properties
  Accessible surface: 421.238  Positive charged surface: 198.427  Negative charged surface: 214.104  Volume: 226.875
  Hydrophobic surface: 353.155  Hydrophilic surface: 68.083
 
 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.