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ENAMINE-ZINC03547595

 MMsINC code: MMs01501607
Type: Neutral
Formula: C24H23N3O4S2
SMILES:   s1c2c(nc1N(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1cc(ccc1OC)C)cccc2
InChI:   InChI=1/C24H23N3O4S2/c1-16-9-14-21(31-4)20(15-16)27(24-25-19-7-5-6-8-22(19)32-24)23(28)17-10-12-18(13-11-17)33(29,30)26(2)3/h5-15H,1-4H3

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Potential Energy
Epot(MMFF94)=143.045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 481.597 g/mol  logS: -6.79745  SlogP: 4.84212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140023  Sterimol/B1: 2.15945  Sterimol/B2: 2.62277  Sterimol/B3: 8.47849
  Sterimol/B4: 8.90239  Sterimol/L: 19.1203 
 
 Surface and Volume Properties
  Accessible surface: 733.753  Positive charged surface: 467.751  Negative charged surface: 266.002  Volume: 431.625
  Hydrophobic surface: 627.664  Hydrophilic surface: 106.089
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.