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ENAMINE-ZINC03476243

 MMsINC code: MMs01463682
Type: Neutral
Formula: C24H23N3O5S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)N\N=C\c1ccccc1C(O)=O)C)c1ccc(cc1
)C
InChI:   InChI=1/C24H23N3O5S/c1-17-7-13-21(14-8-17)33(31,32)27(2)16-18-9-11-19(12-10-18)23(28)26-25-15-20-5-3-4-6-22(20)24(29)30/h3-15H,16H2,1-2H3,(H,26,28)(H,29,30)/b25-15+

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Potential Energy
Epot(MMFF94)=110.571 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.53 g/mol  logS: -5.66293  SlogP: 3.54422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019732  Sterimol/B1: 2.79524  Sterimol/B2: 4.44602  Sterimol/B3: 4.56143
  Sterimol/B4: 6.53912  Sterimol/L: 24.3217 
 
 Surface and Volume Properties
  Accessible surface: 759.442  Positive charged surface: 434.276  Negative charged surface: 325.166  Volume: 425.875
  Hydrophobic surface: 546.037  Hydrophilic surface: 213.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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


MMs01463683
ENAMINE-ZINC03476243