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ENAMINE-ZINC03425387

 MMsINC code: MMs01434102
Type: Neutral
Formula: C26H28FN3O5S
SMILES:   S(=O)(=O)(N(C)c1ccc(OC)cc1)c1cc(ccc1)C(=O)N(CC(=O)NCc1ccc(F)
cc1)CC
InChI:   InChI=1/C26H28FN3O5S/c1-4-30(18-25(31)28-17-19-8-10-21(27)11-9-19)26(32)20-6-5-7-24(16-20)36(33,34)29(2)22-12-14-23(35-3)15-13-22/h5-16H,4,17-18H2,1-3H3,(H,28,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 513.59 g/mol  logS: -5.77548  SlogP: 3.7043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0516111  Sterimol/B1: 2.28828  Sterimol/B2: 3.95275  Sterimol/B3: 4.62316
  Sterimol/B4: 12.2614  Sterimol/L: 19.5678 
 
 Surface and Volume Properties
  Accessible surface: 803.024  Positive charged surface: 497.252  Negative charged surface: 305.772  Volume: 467.25
  Hydrophobic surface: 647.469  Hydrophilic surface: 155.555
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.