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MAYBRIDGE-ZINC01040967

 MMsINC code: MMs02154041
Type: Neutral
Formula: C9H11ClINO2S
SMILES:   Ic1cc(Cl)ccc1S(=O)(=O)NC(C)C
InChI:   InChI=1/C9H11ClINO2S/c1-6(2)12-15(13,14)9-4-3-7(10)5-8(9)11/h3-6,12H,1-2H3

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Potential Energy
Epot(MMFF94)=9.29271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.615 g/mol  logS: -3.60309  SlogP: 2.6313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.226042  Sterimol/B1: 2.92263  Sterimol/B2: 3.66256  Sterimol/B3: 4.81635
  Sterimol/B4: 5.20716  Sterimol/L: 12.4967 
 
 Surface and Volume Properties
  Accessible surface: 435.473  Positive charged surface: 166.313  Negative charged surface: 269.16  Volume: 231.625
  Hydrophobic surface: 331.242  Hydrophilic surface: 104.231
 
 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.