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PUBCHEM-ZINC04857808

 MMsINC code: MMs03179011
Type: Neutral
Formula: C11H16ClNO3S
SMILES:   Clc1cc(S(=O)(=O)NCCCC)c(OC)cc1
InChI:   InChI=1/C11H16ClNO3S/c1-3-4-7-13-17(14,15)11-8-9(12)5-6-10(11)16-2/h5-6,8,13H,3-4,7H2,1-2H3

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Potential Energy
Epot(MMFF94)=15.4852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.772 g/mol  logS: -3.05173  SlogP: 2.427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100552  Sterimol/B1: 2.95812  Sterimol/B2: 4.22688  Sterimol/B3: 4.99951
  Sterimol/B4: 5.25106  Sterimol/L: 14.4629 
 
 Surface and Volume Properties
  Accessible surface: 480.823  Positive charged surface: 269.946  Negative charged surface: 210.877  Volume: 243.375
  Hydrophobic surface: 372.083  Hydrophilic surface: 108.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.