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ASINEX-ZINC00839580

 MMsINC code: MMs00187513
Type: Neutral
Formula: C27H24N2O4S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1)C
InChI:   InChI=1/C27H24N2O4S/c1-34(31,32)29(24-8-4-2-5-9-24)20-21-12-14-22(15-13-21)27(30)28-23-16-18-26(19-17-23)33-25-10-6-3-7-11-25/h2-19H,20H2,1H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.565 g/mol  logS: -6.81904  SlogP: 5.9638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0855212  Sterimol/B1: 2.40918  Sterimol/B2: 3.06101  Sterimol/B3: 6.19637
  Sterimol/B4: 7.63649  Sterimol/L: 20.6743 
 
 Surface and Volume Properties
  Accessible surface: 748.704  Positive charged surface: 394.381  Negative charged surface: 354.323  Volume: 441.5
  Hydrophobic surface: 642.184  Hydrophilic surface: 106.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.