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PUBCHEM-ZINC01051680

 MMsINC code: MMs02761367
Type: Neutral
Formula: C17H15ClN2O4S
SMILES:   Clc1cc2c(oc(C(=O)NCc3ccc(S(=O)(=O)N)cc3)c2C)cc1
InChI:   InChI=1/C17H15ClN2O4S/c1-10-14-8-12(18)4-7-15(14)24-16(10)17(21)20-9-11-2-5-13(6-3-11)25(19,22)23/h2-8H,9H2,1H3,(H,20,21)(H2,19,22,23)

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Potential Energy
Epot(MMFF94)=22.9431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.836 g/mol  logS: -6.01853  SlogP: 3.23842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0355604  Sterimol/B1: 2.11214  Sterimol/B2: 3.61757  Sterimol/B3: 3.62038
  Sterimol/B4: 7.72025  Sterimol/L: 19.8131 
 
 Surface and Volume Properties
  Accessible surface: 616.239  Positive charged surface: 304.176  Negative charged surface: 306.135  Volume: 318.875
  Hydrophobic surface: 431.554  Hydrophilic surface: 184.685
 
 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


MMs02761368
PUBCHEM-ZINC01051680