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PUBCHEM-ZINC00030356

 MMsINC code: MMs02627437
Type: Neutral
Formula: C11H16ClNO2S
SMILES:   Clc1ccc(S(=O)(=O)NC(CCC)C)cc1
InChI:   InChI=1/C11H16ClNO2S/c1-3-4-9(2)13-16(14,15)11-7-5-10(12)6-8-11/h5-9,13H,3-4H2,1-2H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=3.05838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.773 g/mol  logS: -3.32856  SlogP: 2.8069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247098  Sterimol/B1: 2.2638  Sterimol/B2: 4.03902  Sterimol/B3: 4.29736
  Sterimol/B4: 7.89117  Sterimol/L: 11.7992 
 
 Surface and Volume Properties
  Accessible surface: 459.756  Positive charged surface: 238.893  Negative charged surface: 220.863  Volume: 236.125
  Hydrophobic surface: 341.168  Hydrophilic surface: 118.588
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.