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IBS-ZINC06704114

 MMsINC code: MMs01966351
Type: Neutral
Formula: C13H17ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(=O)N(C)C)cc1
InChI:   InChI=1/C13H17ClN2O3S/c1-15(2)13(17)12-4-3-9-16(12)20(18,19)11-7-5-10(14)6-8-11/h5-8,12H,3-4,9H2,1-2H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=59.7617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.809 g/mol  logS: -2.65169  SlogP: 1.5813  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164929  Sterimol/B1: 2.90769  Sterimol/B2: 3.53573  Sterimol/B3: 4.6521
  Sterimol/B4: 6.61591  Sterimol/L: 14.7137 
 
 Surface and Volume Properties
  Accessible surface: 510.031  Positive charged surface: 308.631  Negative charged surface: 201.4  Volume: 276
  Hydrophobic surface: 443.916  Hydrophilic surface: 66.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.