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ENAMINE-ZINC03488863

 MMsINC code: MMs01469983
Type: Neutral
Formula: C20H23FN2O5S
SMILES:   S(=O)(=O)(NC(C(C)C)C(OCC(=O)NCc1ccc(F)cc1)=O)c1ccccc1
InChI:   InChI=1/C20H23FN2O5S/c1-14(2)19(23-29(26,27)17-6-4-3-5-7-17)20(25)28-13-18(24)22-12-15-8-10-16(21)11-9-15/h3-11,14,19,23H,12-13H2,1-2H3,(H,22,24)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.4125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.477 g/mol  logS: -4.59723  SlogP: 2.2546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527205  Sterimol/B1: 2.28017  Sterimol/B2: 3.52833  Sterimol/B3: 4.99337
  Sterimol/B4: 7.94349  Sterimol/L: 21.1706 
 
 Surface and Volume Properties
  Accessible surface: 690.78  Positive charged surface: 382.85  Negative charged surface: 307.931  Volume: 377
  Hydrophobic surface: 507.714  Hydrophilic surface: 183.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.