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PUBCHEM-ZINC03676004

 MMsINC code: MMs03038481
Type: Neutral
Formula: C19H19ClN2O3S
SMILES:   Clc1ccccc1-c1[nH]c2c(cc(S(=O)(=O)N(CC)CC)cc2)c1C=O
InChI:   InChI=1/C19H19ClN2O3S/c1-3-22(4-2)26(24,25)13-9-10-18-15(11-13)16(12-23)19(21-18)14-7-5-6-8-17(14)20/h5-12,21H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=57.8786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.891 g/mol  logS: -5.37834  SlogP: 4.3313  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0569969  Sterimol/B1: 2.57299  Sterimol/B2: 2.92574  Sterimol/B3: 4.96732
  Sterimol/B4: 6.9732  Sterimol/L: 17.8763 
 
 Surface and Volume Properties
  Accessible surface: 603.12  Positive charged surface: 324.178  Negative charged surface: 275.143  Volume: 348.875
  Hydrophobic surface: 449.407  Hydrophilic surface: 153.713
 
 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.