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ASINEX-ZINC06679764

 MMsINC code: MMs00443770
Type: Neutral
Formula: C16H18N2O5S2
SMILES:   s1c(C)c(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(O)ccc1
InChI:   InChI=1/C16H18N2O5S2/c1-11-15(25(21,22)18-5-7-23-8-6-18)10-14(24-11)16(20)17-12-3-2-4-13(19)9-12/h2-4,9-10,19H,5-8H2,1H3,(H,17,20)

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Potential Energy
Epot(MMFF94)=83.8002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.461 g/mol  logS: -3.31802  SlogP: 2.03532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0332471  Sterimol/B1: 2.51448  Sterimol/B2: 2.58506  Sterimol/B3: 4.38864
  Sterimol/B4: 7.35463  Sterimol/L: 17.9301 
 
 Surface and Volume Properties
  Accessible surface: 591.065  Positive charged surface: 343.485  Negative charged surface: 247.58  Volume: 323.75
  Hydrophobic surface: 433.549  Hydrophilic surface: 157.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.