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PUBCHEM-ZINC02864329

 MMsINC code: MMs02945957
Type: Neutral
Formula: C11H16INO4S
SMILES:   Ic1cc(S(=O)(=O)NCCCOC)ccc1OC
InChI:   InChI=1/C11H16INO4S/c1-16-7-3-6-13-18(14,15)9-4-5-11(17-2)10(12)8-9/h4-5,8,13H,3,6-7H2,1-2H3

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Potential Energy
Epot(MMFF94)=24.2894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.222 g/mol  logS: -2.60917  SlogP: 1.6146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0844815  Sterimol/B1: 2.84312  Sterimol/B2: 2.88326  Sterimol/B3: 5.58718
  Sterimol/B4: 7.08775  Sterimol/L: 15.8911 
 
 Surface and Volume Properties
  Accessible surface: 541.719  Positive charged surface: 331.974  Negative charged surface: 209.746  Volume: 269.75
  Hydrophobic surface: 445.52  Hydrophilic surface: 96.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.