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ASINEX-ZINC02184756

 MMsINC code: MMs00264685
Type: Neutral
Formula: C20H18N2O3S
SMILES:   S(=O)(=O)(Nc1c(cc(cc1C)C)C)c1c2c3c(ccc2)C(=O)Nc3cc1
InChI:   InChI=1/C20H18N2O3S/c1-11-9-12(2)19(13(3)10-11)22-26(24,25)17-8-7-16-18-14(17)5-4-6-15(18)20(23)21-16/h4-10,22H,1-3H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=93.2047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.441 g/mol  logS: -6.04395  SlogP: 4.13156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.258679  Sterimol/B1: 2.39901  Sterimol/B2: 4.20521  Sterimol/B3: 5.20013
  Sterimol/B4: 7.99616  Sterimol/L: 14.0422 
 
 Surface and Volume Properties
  Accessible surface: 548.177  Positive charged surface: 306.893  Negative charged surface: 236.089  Volume: 330.5
  Hydrophobic surface: 406.441  Hydrophilic surface: 141.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.