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ENAMINE-ZINC03503124

 MMsINC code: MMs01477762
Type: Neutral
Formula: C15H16N2O5S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccccc1C(OCC(=O)NCC)=O
InChI:   InChI=1/C15H16N2O5S2/c1-2-16-13(18)10-22-15(19)11-6-3-4-7-12(11)17-24(20,21)14-8-5-9-23-14/h3-9,17H,2,10H2,1H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=63.5182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.434 g/mol  logS: -3.89324  SlogP: 1.8418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0940119  Sterimol/B1: 4.5986  Sterimol/B2: 4.61208  Sterimol/B3: 4.65377
  Sterimol/B4: 6.36618  Sterimol/L: 16.6516 
 
 Surface and Volume Properties
  Accessible surface: 593.089  Positive charged surface: 330.173  Negative charged surface: 262.916  Volume: 313.375
  Hydrophobic surface: 421.599  Hydrophilic surface: 171.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.