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NCID-ZINC01669826

 MMsINC code: MMs02305908
Type: Neutral
Formula: C24H19N3O6S
SMILES:   S(O)(=O)(=O)c1cc(O)c2c(cc(NC(=O)c3ccc(cc3)C(=O)Nc3ccc(N)cc3)
cc2)c1
InChI:   InChI=1/C24H19N3O6S/c25-17-5-7-18(8-6-17)26-23(29)14-1-3-15(4-2-14)24(30)27-19-9-10-21-16(11-19)12-20(13-22(21)28)34(31,32)33/h1-13,28H,25H2,(H,26,29)(H,27,30)(H,31,32,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 477.497 g/mol  logS: -6.61174  SlogP: 3.3132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00553115  Sterimol/B1: 2.11175  Sterimol/B2: 3.18701  Sterimol/B3: 3.70555
  Sterimol/B4: 6.65914  Sterimol/L: 24.5268 
 
 Surface and Volume Properties
  Accessible surface: 734.048  Positive charged surface: 375.602  Negative charged surface: 348.874  Volume: 407.125
  Hydrophobic surface: 435.893  Hydrophilic surface: 298.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  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: 0
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Ions/Tautomers related molecules


MMs02305909
NCID-ZINC01669826