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ENAMINE-ZINC03547384

MMsINC code: MMs01501511

Type: Neutral
Formula: C20H23FN2O5S
SMILES:   S(=O)(=O)(N1CCN(CC1)C(=O)c1cc(OC)c(C)c(OC)c1)c1ccc(F)cc1
InChI:   InChI=1/C20H23FN2O5S/c1-14-18(27-2)12-15(13-19(14)28-3)20(24)22-8-10-23(11-9-22)29(25,26)17-6-4-16(21)5-7-17/h4-7,12-13H,8-11H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=108.647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.477 g/mol  logS: -3.83797  SlogP: 2.29802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159998  Sterimol/B1: 3.2055  Sterimol/B2: 5.75176  Sterimol/B3: 5.97054
  Sterimol/B4: 6.86108  Sterimol/L: 16.4485 
 
 Surface and Volume Properties
  Accessible surface: 664.156  Positive charged surface: 441.165  Negative charged surface: 222.991  Volume: 374
  Hydrophobic surface: 571.624  Hydrophilic surface: 92.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.