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CHEMDIV-ZINC02724801

 MMsINC code: MMs00887107
Type: Neutral
Formula: C24H22FN3O4S
SMILES:   S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)N1CC(=O)Nc2c(cc(F)cc2)C1c1ccc
cc1
InChI:   InChI=1/C24H22FN3O4S/c1-27(2)33(31,32)19-11-8-17(9-12-19)24(30)28-15-22(29)26-21-13-10-18(25)14-20(21)23(28)16-6-4-3-5-7-16/h3-14,23H,15H2,1-2H3,(H,26,29)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=153.255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.521 g/mol  logS: -5.52029  SlogP: 3.3554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251109  Sterimol/B1: 4.05171  Sterimol/B2: 4.43103  Sterimol/B3: 5.79763
  Sterimol/B4: 7.16247  Sterimol/L: 14.4897 
 
 Surface and Volume Properties
  Accessible surface: 667.213  Positive charged surface: 367.807  Negative charged surface: 299.406  Volume: 408.125
  Hydrophobic surface: 514.587  Hydrophilic surface: 152.626
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.