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PUBCHEM-ZINC03672902

 MMsINC code: MMs03037752
Type: Neutral
Formula: C15H17ClN2O3S
SMILES:   Clc1[nH]c2c(cc(S(=O)(=O)N3CCCCCC3)cc2)c1C=O
InChI:   InChI=1/C15H17ClN2O3S/c16-15-13(10-19)12-9-11(5-6-14(12)17-15)22(20,21)18-7-3-1-2-4-8-18/h5-6,9-10,17H,1-4,7-8H2

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Potential Energy
Epot(MMFF94)=46.6185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.831 g/mol  logS: -3.59592  SlogP: 3.1985  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0615981  Sterimol/B1: 2.74827  Sterimol/B2: 3.52986  Sterimol/B3: 3.59372
  Sterimol/B4: 6.65029  Sterimol/L: 16.0044 
 
 Surface and Volume Properties
  Accessible surface: 524.977  Positive charged surface: 281.307  Negative charged surface: 237.859  Volume: 292.25
  Hydrophobic surface: 398.916  Hydrophilic surface: 126.061
 
 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.