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CHEMSTAR-ZINC03099347

 MMsINC code: MMs01083203
Type: Neutral
Formula: C10H7IO3S
SMILES:   Ic1c2c(cccc2S(O)(=O)=O)ccc1
InChI:   InChI=1/C10H7IO3S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H,(H,12,13,14)

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Potential Energy
Epot(MMFF94)=202.654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.133 g/mol  logS: -4.30435  SlogP: 2.1254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0266075  Sterimol/B1: 2.53604  Sterimol/B2: 3.05205  Sterimol/B3: 3.06739
  Sterimol/B4: 7.8803  Sterimol/L: 11.2209 
 
 Surface and Volume Properties
  Accessible surface: 383.592  Positive charged surface: 147.183  Negative charged surface: 225.839  Volume: 199.5
  Hydrophobic surface: 293.737  Hydrophilic surface: 89.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01083204
CHEMSTAR-ZINC03099347