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ASINEX-ZINC05023264

 MMsINC code: MMs00438347
Type: Neutral
Formula: C18H16N2O4S
SMILES:   S(=O)(=O)(NNC(=O)COc1c2c(ccc1)cccc2)c1ccccc1
InChI:   InChI=1/C18H16N2O4S/c21-18(19-20-25(22,23)15-9-2-1-3-10-15)13-24-17-12-6-8-14-7-4-5-11-16(14)17/h1-12,20H,13H2,(H,19,21)

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Potential Energy
Epot(MMFF94)=118.202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.402 g/mol  logS: -5.51259  SlogP: 2.2283  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217501  Sterimol/B1: 2.85943  Sterimol/B2: 3.32581  Sterimol/B3: 3.81058
  Sterimol/B4: 6.65614  Sterimol/L: 18.3506 
 
 Surface and Volume Properties
  Accessible surface: 600.385  Positive charged surface: 300.601  Negative charged surface: 290.096  Volume: 317.625
  Hydrophobic surface: 464.749  Hydrophilic surface: 135.636
 
 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.