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PUBCHEM-ZINC03654279

 MMsINC code: MMs03034945
Type: Neutral
Formula: C16H13ClN2O3S
SMILES:   Clc1cc2c([nH]c(C(=O)N)c2S(=O)(=O)c2cc(ccc2)C)cc1
InChI:   InChI=1/C16H13ClN2O3S/c1-9-3-2-4-11(7-9)23(21,22)15-12-8-10(17)5-6-13(12)19-14(15)16(18)20/h2-8,19H,1H3,(H2,18,20)

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Potential Energy
Epot(MMFF94)=63.6839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.81 g/mol  logS: -5.25258  SlogP: 3.06142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107099  Sterimol/B1: 2.51863  Sterimol/B2: 5.04196  Sterimol/B3: 5.24666
  Sterimol/B4: 5.71307  Sterimol/L: 14.1749 
 
 Surface and Volume Properties
  Accessible surface: 529.739  Positive charged surface: 239.182  Negative charged surface: 286.193  Volume: 292.25
  Hydrophobic surface: 379.938  Hydrophilic surface: 149.801
 
 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.