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NCID-ZINC01726559

 MMsINC code: MMs02350272
Type: Neutral
Formula: C12H17ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)NC(=O)NCCC(C)C)cc1
InChI:   InChI=1/C12H17ClN2O3S/c1-9(2)7-8-14-12(16)15-19(17,18)11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16)

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Potential Energy
Epot(MMFF94)=-29.8505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.798 g/mol  logS: -3.94499  SlogP: 2.374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0721323  Sterimol/B1: 3.23609  Sterimol/B2: 4.19763  Sterimol/B3: 4.87667
  Sterimol/B4: 5.54018  Sterimol/L: 15.2261 
 
 Surface and Volume Properties
  Accessible surface: 527.72  Positive charged surface: 282.531  Negative charged surface: 245.189  Volume: 265.5
  Hydrophobic surface: 363.828  Hydrophilic surface: 163.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.