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ASINEX-ZINC06679642

 MMsINC code: MMs00443652
Type: Neutral
Formula: C16H18N2O4S2
SMILES:   s1c(C)c(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccccc1O
InChI:   InChI=1/C16H18N2O4S2/c1-11-15(24(21,22)18-8-4-5-9-18)10-14(23-11)16(20)17-12-6-2-3-7-13(12)19/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(H,17,20)

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Potential Energy
Epot(MMFF94)=67.6495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.462 g/mol  logS: -3.57892  SlogP: 2.79892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0785284  Sterimol/B1: 2.42817  Sterimol/B2: 2.95388  Sterimol/B3: 5.88525
  Sterimol/B4: 6.30992  Sterimol/L: 17.7265 
 
 Surface and Volume Properties
  Accessible surface: 577.428  Positive charged surface: 323.827  Negative charged surface: 253.601  Volume: 314.25
  Hydrophobic surface: 439.071  Hydrophilic surface: 138.357
 
 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.