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ASINEX-ZINC00372867

 MMsINC code: MMs00125703
Type: Neutral
Formula: C16H18N2O2S2
SMILES:   s1c2c(CCCC2)c(C(=O)NCC)c1NC(=O)c1sccc1
InChI:   InChI=1/C16H18N2O2S2/c1-2-17-15(20)13-10-6-3-4-7-11(10)22-16(13)18-14(19)12-8-5-9-21-12/h5,8-9H,2-4,6-7H2,1H3,(H,17,20)(H,18,19)

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Potential Energy
Epot(MMFF94)=46.5094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.464 g/mol  logS: -4.6887  SlogP: 3.69034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.047332  Sterimol/B1: 2.12753  Sterimol/B2: 2.51332  Sterimol/B3: 4.64278
  Sterimol/B4: 9.84307  Sterimol/L: 15.5776 
 
 Surface and Volume Properties
  Accessible surface: 579.795  Positive charged surface: 340.665  Negative charged surface: 239.13  Volume: 303.25
  Hydrophobic surface: 483.301  Hydrophilic surface: 96.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.