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PUBCHEM-ZINC03672900

 MMsINC code: MMs03037750
Type: Neutral
Formula: C14H15ClN2O3S
SMILES:   Clc1[nH]c2c(cc(S(=O)(=O)N3CCCCC3)cc2)c1C=O
InChI:   InChI=1/C14H15ClN2O3S/c15-14-12(9-18)11-8-10(4-5-13(11)16-14)21(19,20)17-6-2-1-3-7-17/h4-5,8-9,16H,1-3,6-7H2

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Potential Energy
Epot(MMFF94)=27.505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.804 g/mol  logS: -3.39415  SlogP: 2.8084  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0756207  Sterimol/B1: 2.71534  Sterimol/B2: 3.67776  Sterimol/B3: 3.94167
  Sterimol/B4: 6.72087  Sterimol/L: 15.4706 
 
 Surface and Volume Properties
  Accessible surface: 513.502  Positive charged surface: 276.356  Negative charged surface: 231.335  Volume: 276.875
  Hydrophobic surface: 380.738  Hydrophilic surface: 132.764
 
 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.