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ENAMINE-ZINC03481175

 MMsINC code: MMs01466102
Type: Neutral
Formula: C24H23FN2O5S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(OCC(=O)NC(C)c1ccc(F)cc1)=
O
InChI:   InChI=1/C24H23FN2O5S/c1-17(18-8-12-20(25)13-9-18)26-23(28)16-32-24(29)19-10-14-22(15-11-19)33(30,31)27(2)21-6-4-3-5-7-21/h3-15,17H,16H2,1-2H3,(H,26,28)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.521 g/mol  logS: -6.06669  SlogP: 3.7805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.047778  Sterimol/B1: 2.93782  Sterimol/B2: 3.00615  Sterimol/B3: 5.27662
  Sterimol/B4: 6.65225  Sterimol/L: 23.0754 
 
 Surface and Volume Properties
  Accessible surface: 754.181  Positive charged surface: 419.749  Negative charged surface: 334.432  Volume: 426
  Hydrophobic surface: 608.358  Hydrophilic surface: 145.823
 
 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.