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ENAMINE-ZINC02651475

 MMsINC code: MMs01275710
Type: Neutral
Formula: C28H24ClFN2O3S
SMILES:   Clc1ccccc1CN(S(=O)(=O)c1ccccc1F)CC(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C28H24ClFN2O3S/c29-24-16-8-7-15-23(24)19-32(36(34,35)26-18-10-9-17-25(26)30)20-27(33)31-28(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-18,28H,19-20H2,(H,31,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.9252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 523.028 g/mol  logS: -7.80398  SlogP: 5.9377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223802  Sterimol/B1: 2.77911  Sterimol/B2: 6.67703  Sterimol/B3: 7.03156
  Sterimol/B4: 7.79377  Sterimol/L: 15.499 
 
 Surface and Volume Properties
  Accessible surface: 777.966  Positive charged surface: 378.01  Negative charged surface: 399.956  Volume: 471.625
  Hydrophobic surface: 715.117  Hydrophilic surface: 62.849
 
 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: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.