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PUBCHEM-ZINC02635496

 MMsINC code: MMs02908010
Type: Neutral
Formula: C23H18N2OS
SMILES:   S(CC(=O)Nc1ccc(cc1)-c1ccccc1)c1nc2c(cc1)cccc2
InChI:   InChI=1/C23H18N2OS/c26-22(16-27-23-15-12-19-8-4-5-9-21(19)25-23)24-20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-15H,16H2,(H,24,26)

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Potential Energy
Epot(MMFF94)=107.889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.476 g/mol  logS: -7.72889  SlogP: 5.6326  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00824002  Sterimol/B1: 2.60009  Sterimol/B2: 2.85113  Sterimol/B3: 4.47521
  Sterimol/B4: 4.80156  Sterimol/L: 22.4335 
 
 Surface and Volume Properties
  Accessible surface: 658.736  Positive charged surface: 334.741  Negative charged surface: 308.157  Volume: 357.625
  Hydrophobic surface: 564.414  Hydrophilic surface: 94.322
 
 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.