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ENAMINE-ZINC06935524

 MMsINC code: MMs01713172
Type: Neutral
Formula: C18H24N2O2S2
SMILES:   S(c1cc(ccc1C)C)c1ccc(S(=O)(=O)NCCN(C)C)cc1
InChI:   InChI=1/C18H24N2O2S2/c1-14-5-6-15(2)18(13-14)23-16-7-9-17(10-8-16)24(21,22)19-11-12-20(3)4/h5-10,13,19H,11-12H2,1-4H3

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Potential Energy
Epot(MMFF94)=54.6151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.534 g/mol  logS: -4.6004  SlogP: 3.29454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0610806  Sterimol/B1: 2.44333  Sterimol/B2: 2.98772  Sterimol/B3: 5.12181
  Sterimol/B4: 7.69857  Sterimol/L: 18.1851 
 
 Surface and Volume Properties
  Accessible surface: 644.216  Positive charged surface: 420.137  Negative charged surface: 224.079  Volume: 349.375
  Hydrophobic surface: 533.761  Hydrophilic surface: 110.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01713173
ENAMINE-ZINC06935524