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ASINEX-ZINC04970963

 MMsINC code: MMs00418749
Type: Neutral
Formula: C23H20N2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccccc1)C(=O)N1CCc2c(C1)cccc2
InChI:   InChI=1/C23H20N2OS/c26-23(24-12-10-18-8-4-5-9-19(18)16-24)21-14-22-20(11-13-27-22)25(21)15-17-6-2-1-3-7-17/h1-9,11,13-14H,10,12,15-16H2

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Potential Energy
Epot(MMFF94)=96.6584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.492 g/mol  logS: -5.10407  SlogP: 5.48237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213394  Sterimol/B1: 2.27205  Sterimol/B2: 3.29048  Sterimol/B3: 6.06008
  Sterimol/B4: 9.71606  Sterimol/L: 13.8592 
 
 Surface and Volume Properties
  Accessible surface: 603.191  Positive charged surface: 321.97  Negative charged surface: 281.22  Volume: 360.625
  Hydrophobic surface: 568.852  Hydrophilic surface: 34.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.