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ENAMINE-ZINC06545208

 MMsINC code: MMs01670150
Type: Neutral
Formula: C16H24ClN3O4S
SMILES:   Clc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)C)cc1
InChI:   InChI=1/C16H24ClN3O4S/c1-19(25(22,23)15-5-3-14(17)4-6-15)13-16(21)18-7-2-8-20-9-11-24-12-10-20/h3-6H,2,7-13H2,1H3,(H,18,21)

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Potential Energy
Epot(MMFF94)=65.5543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.904 g/mol  logS: -2.59644  SlogP: 0.799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0409484  Sterimol/B1: 2.27799  Sterimol/B2: 2.86597  Sterimol/B3: 4.92603
  Sterimol/B4: 7.3652  Sterimol/L: 20.7303 
 
 Surface and Volume Properties
  Accessible surface: 652.645  Positive charged surface: 440.446  Negative charged surface: 212.199  Volume: 348.125
  Hydrophobic surface: 542.836  Hydrophilic surface: 109.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs01670151
ENAMINE-ZINC06545208