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MAYBRIDGE-ZINC04389121

 MMsINC code: MMs02173400
Type: Neutral
Formula: C17H15ClN2O3S
SMILES:   Clc1cc(S(=O)(=O)NCc2c(noc2C)-c2ccccc2)ccc1
InChI:   InChI=1/C17H15ClN2O3S/c1-12-16(17(20-23-12)13-6-3-2-4-7-13)11-19-24(21,22)15-9-5-8-14(18)10-15/h2-10,19H,11H2,1H3

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Potential Energy
Epot(MMFF94)=36.3594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.837 g/mol  logS: -5.07997  SlogP: 4.04832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116527  Sterimol/B1: 2.41974  Sterimol/B2: 4.67136  Sterimol/B3: 5.14949
  Sterimol/B4: 8.25062  Sterimol/L: 15.1273 
 
 Surface and Volume Properties
  Accessible surface: 568.171  Positive charged surface: 243.099  Negative charged surface: 325.072  Volume: 313.875
  Hydrophobic surface: 471.47  Hydrophilic surface: 96.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.