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ENAMINE-ZINC03459180

 MMsINC code: MMs01456036
Type: Neutral
Formula: C24H23FN2O5S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1cc(ccc1)C(OCC(=O)Nc1cc(F)ccc1C)=O
InChI:   InChI=1/C24H23FN2O5S/c1-3-27(20-9-5-4-6-10-20)33(30,31)21-11-7-8-18(14-21)24(29)32-16-23(28)26-22-15-19(25)13-12-17(22)2/h4-15H,3,16H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.521 g/mol  logS: -6.28312  SlogP: 4.14482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.043452  Sterimol/B1: 2.50886  Sterimol/B2: 2.57329  Sterimol/B3: 5.69978
  Sterimol/B4: 6.9965  Sterimol/L: 21.3719 
 
 Surface and Volume Properties
  Accessible surface: 743.106  Positive charged surface: 393.419  Negative charged surface: 349.687  Volume: 421.125
  Hydrophobic surface: 595.934  Hydrophilic surface: 147.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1
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Ions/Tautomers related molecules: no related molecules available.