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ENAMINE-ZINC03309171

 MMsINC code: MMs01362854
Type: Neutral
Formula: C15H21ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(=O)NC(C)(C)C)cc1
InChI:   InChI=1/C15H21ClN2O3S/c1-15(2,3)17-14(19)13-5-4-10-18(13)22(20,21)12-8-6-11(16)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,17,19)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=62.2853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.863 g/mol  logS: -3.73931  SlogP: 2.4078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119898  Sterimol/B1: 3.45008  Sterimol/B2: 4.74632  Sterimol/B3: 4.89644
  Sterimol/B4: 5.21043  Sterimol/L: 15.8067 
 
 Surface and Volume Properties
  Accessible surface: 557.092  Positive charged surface: 315.222  Negative charged surface: 241.87  Volume: 308.875
  Hydrophobic surface: 444.506  Hydrophilic surface: 112.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.