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NCID-ZINC04722920

 MMsINC code: MMs02397908
Type: Neutral
Formula: C3H9IO3S
SMILES:   ICCS(O)(O)(=O)C
InChI:   InChI=1/C3H9IO3S/c1-8(5,6,7)3-2-4/h2-3H2,1H3,(H2,5,6,7)

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Potential Energy
Epot(MMFF94)=275.225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.072 g/mol  logS: -1.79921  SlogP: -0.3141  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.219884  Sterimol/B1: 2.62772  Sterimol/B2: 2.92468  Sterimol/B3: 3.65121
  Sterimol/B4: 4.2193  Sterimol/L: 10.7592 
 
 Surface and Volume Properties
  Accessible surface: 329.138  Positive charged surface: 151.086  Negative charged surface: 178.052  Volume: 142.5
  Hydrophobic surface: 213.416  Hydrophilic surface: 115.722
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.