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ENAMINE-ZINC06789758

 MMsINC code: MMs01699048
Type: Neutral
Formula: C23H20N2OS
SMILES:   s1c2c(nc1CN(C(=O)C(c1ccccc1)c1ccccc1)C)cccc2
InChI:   InChI=1/C23H20N2OS/c1-25(16-21-24-19-14-8-9-15-20(19)27-21)23(26)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,22H,16H2,1H3

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Potential Energy
Epot(MMFF94)=113.094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.492 g/mol  logS: -5.41378  SlogP: 5.3532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112439  Sterimol/B1: 2.42188  Sterimol/B2: 3.46092  Sterimol/B3: 4.3534
  Sterimol/B4: 8.99863  Sterimol/L: 16.2483 
 
 Surface and Volume Properties
  Accessible surface: 637.2  Positive charged surface: 363.101  Negative charged surface: 274.099  Volume: 363.75
  Hydrophobic surface: 599.536  Hydrophilic surface: 37.664
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.