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PUBCHEM-ZINC01196366

 MMsINC code: MMs02786300
Type: Neutral
Formula: C26H23N3O4S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)Nc1ccccc1OC)c1ncccc1)c1ccccc1
InChI:   InChI=1/C26H23N3O4S/c1-33-24-12-6-5-11-23(24)28-26(30)21-16-14-20(15-17-21)19-29(25-13-7-8-18-27-25)34(31,32)22-9-3-2-4-10-22/h2-18H,19H2,1H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 473.553 g/mol  logS: -5.96369  SlogP: 5.0044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0309639  Sterimol/B1: 3.65376  Sterimol/B2: 3.85412  Sterimol/B3: 4.01378
  Sterimol/B4: 7.37848  Sterimol/L: 21.436 
 
 Surface and Volume Properties
  Accessible surface: 738.026  Positive charged surface: 434.853  Negative charged surface: 303.172  Volume: 436.375
  Hydrophobic surface: 644.474  Hydrophilic surface: 93.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.