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PUBCHEM-ZINC02938727

 MMsINC code: MMs02962942
Type: Neutral
Formula: C19H23FN2O5S
SMILES:   S(=O)(=O)(NC(CC(=O)NCCOC)c1ccc(OC)cc1)c1ccc(F)cc1
InChI:   InChI=1/C19H23FN2O5S/c1-26-12-11-21-19(23)13-18(14-3-7-16(27-2)8-4-14)22-28(24,25)17-9-5-15(20)6-10-17/h3-10,18,22H,11-13H2,1-2H3,(H,21,23)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.466 g/mol  logS: -3.53325  SlogP: 2.1021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0811163  Sterimol/B1: 3.54551  Sterimol/B2: 4.43043  Sterimol/B3: 4.53965
  Sterimol/B4: 6.56158  Sterimol/L: 17.8356 
 
 Surface and Volume Properties
  Accessible surface: 649.789  Positive charged surface: 456.771  Negative charged surface: 193.018  Volume: 370.375
  Hydrophobic surface: 530.36  Hydrophilic surface: 119.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.