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ENAMINE-ZINC03263600

 MMsINC code: MMs01338192
Type: Neutral
Formula: C19H20N2OS2
SMILES:   s1c2c(nc1SCC(=O)Nc1ccc(cc1)C(C)(C)C)cccc2
InChI:   InChI=1/C19H20N2OS2/c1-19(2,3)13-8-10-14(11-9-13)20-17(22)12-23-18-21-15-6-4-5-7-16(15)24-18/h4-11H,12H2,1-3H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=91.2262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.514 g/mol  logS: -7.70914  SlogP: 5.3246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0183696  Sterimol/B1: 2.13618  Sterimol/B2: 3.37863  Sterimol/B3: 4.58737
  Sterimol/B4: 4.83346  Sterimol/L: 20.9416 
 
 Surface and Volume Properties
  Accessible surface: 628.158  Positive charged surface: 348.909  Negative charged surface: 279.249  Volume: 340.125
  Hydrophobic surface: 461.238  Hydrophilic surface: 166.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.