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ASINEX-ZINC00972540

 MMsINC code: MMs00226843
Type: Neutral
Formula: C18H20N2O3S2
SMILES:   s1c2c(CCCC2)c(C(=O)N2CCOCC2)c1NC(=O)c1sccc1
InChI:   InChI=1/C18H20N2O3S2/c21-16(14-6-3-11-24-14)19-17-15(12-4-1-2-5-13(12)25-17)18(22)20-7-9-23-10-8-20/h3,6,11H,1-2,4-5,7-10H2,(H,19,21)

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Potential Energy
Epot(MMFF94)=77.9352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.501 g/mol  logS: -4.54698  SlogP: 3.41304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895722  Sterimol/B1: 4.15257  Sterimol/B2: 4.19318  Sterimol/B3: 4.68438
  Sterimol/B4: 7.63179  Sterimol/L: 15.6619 
 
 Surface and Volume Properties
  Accessible surface: 588.347  Positive charged surface: 371.075  Negative charged surface: 217.271  Volume: 335.875
  Hydrophobic surface: 518.775  Hydrophilic surface: 69.572
 
 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: no related molecules available.