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ASINEX-ZINC00881210

 MMsINC code: MMs00205864
Type: Neutral
Formula: C22H24N2OS
SMILES:   S(CC(=O)Nc1ccccc1CC)c1nc2c(cc1C)cc(cc2)CC
InChI:   InChI=1/C22H24N2OS/c1-4-16-10-11-20-18(13-16)12-15(3)22(24-20)26-14-21(25)23-19-9-7-6-8-17(19)5-2/h6-13H,4-5,14H2,1-3H3,(H,23,25)

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Potential Energy
Epot(MMFF94)=90.8928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.513 g/mol  logS: -7.12781  SlogP: 5.39876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175339  Sterimol/B1: 2.19697  Sterimol/B2: 3.50759  Sterimol/B3: 3.57301
  Sterimol/B4: 8.11094  Sterimol/L: 20.0345 
 
 Surface and Volume Properties
  Accessible surface: 669.563  Positive charged surface: 407.01  Negative charged surface: 257.375  Volume: 366.125
  Hydrophobic surface: 553.073  Hydrophilic surface: 116.49
 
 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.