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PUBCHEM-ZINC06581621

 MMsINC code: MMs03807717
Type: Neutral
Formula: C17H14ClNO3S
SMILES:   Clc1ccccc1C(O)c1ccn(S(=O)(=O)c2ccccc2)c1
InChI:   InChI=1/C17H14ClNO3S/c18-16-9-5-4-8-15(16)17(20)13-10-11-19(12-13)23(21,22)14-6-2-1-3-7-14/h1-12,17,20H/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=91.868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.822 g/mol  logS: -4.04227  SlogP: 3.5557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169712  Sterimol/B1: 2.86638  Sterimol/B2: 3.37353  Sterimol/B3: 5.08792
  Sterimol/B4: 6.78918  Sterimol/L: 12.6531 
 
 Surface and Volume Properties
  Accessible surface: 541.222  Positive charged surface: 231.695  Negative charged surface: 309.527  Volume: 302
  Hydrophobic surface: 421.664  Hydrophilic surface: 119.558
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.