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ENAMINE-ZINC02478386

 MMsINC code: MMs01251342
Type: Neutral
Formula: C23H16N2O3S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)-c1ccccc1)c1c2c3c(ccc2)C(=O)Nc3cc1
InChI:   InChI=1/C23H16N2O3S/c26-23-19-8-4-7-18-21(14-13-20(24-23)22(18)19)29(27,28)25-17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14,25H,(H,24,26)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.88 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.458 g/mol  logS: -7.67547  SlogP: 4.8733  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179907  Sterimol/B1: 4.1646  Sterimol/B2: 4.39527  Sterimol/B3: 4.9777
  Sterimol/B4: 6.87325  Sterimol/L: 15.5101 
 
 Surface and Volume Properties
  Accessible surface: 607.648  Positive charged surface: 296.001  Negative charged surface: 295.139  Volume: 357.125
  Hydrophobic surface: 450.675  Hydrophilic surface: 156.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.