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CHEMDIV-ZINC02724806

 MMsINC code: MMs00887110
Type: Neutral
Formula: C26H23F2N3O4S
SMILES:   S(=O)(=O)(N1CCCC1)c1ccc(cc1)C(=O)N1CC(=O)Nc2c(cc(F)cc2)C1c1c
cc(F)cc1
InChI:   InChI=1/C26H23F2N3O4S/c27-19-7-3-17(4-8-19)25-22-15-20(28)9-12-23(22)29-24(32)16-31(25)26(33)18-5-10-21(11-6-18)36(34,35)30-13-1-2-14-30/h3-12,15,25H,1-2,13-14,16H2,(H,29,32)/t25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=165.663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 511.549 g/mol  logS: -6.36765  SlogP: 4.0287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145073  Sterimol/B1: 2.94562  Sterimol/B2: 2.97246  Sterimol/B3: 6.79867
  Sterimol/B4: 8.39259  Sterimol/L: 17.2237 
 
 Surface and Volume Properties
  Accessible surface: 711.881  Positive charged surface: 374.596  Negative charged surface: 337.284  Volume: 436.375
  Hydrophobic surface: 557.433  Hydrophilic surface: 154.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.