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ENAMINE-ZINC03210373

 MMsINC code: MMs01307375
Type: Neutral
Formula: C22H18N2O3S
SMILES:   S(=O)(=O)(Nc1ccccc1)c1ccc(cc1)C(=O)c1n2c(cc1C)C=CC=C2
InChI:   InChI=1/C22H18N2O3S/c1-16-15-19-9-5-6-14-24(19)21(16)22(25)17-10-12-20(13-11-17)28(26,27)23-18-7-3-2-4-8-18/h2-15,23H,1H3

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Potential Energy
Epot(MMFF94)=75.8736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.463 g/mol  logS: -4.82386  SlogP: 4.32582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107727  Sterimol/B1: 2.01934  Sterimol/B2: 3.70006  Sterimol/B3: 5.31613
  Sterimol/B4: 8.35576  Sterimol/L: 15.9829 
 
 Surface and Volume Properties
  Accessible surface: 632.72  Positive charged surface: 318.821  Negative charged surface: 313.899  Volume: 361
  Hydrophobic surface: 518.345  Hydrophilic surface: 114.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.