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ENAMINE-ZINC03397086

 MMsINC code: MMs01417732
Type: Neutral
Formula: C19H20F2N2O5S
SMILES:   S(=O)(=O)(N(CC)CC)c1ccc(NC(=O)COC(=O)c2c(F)cccc2F)cc1
InChI:   InChI=1/C19H20F2N2O5S/c1-3-23(4-2)29(26,27)14-10-8-13(9-11-14)22-17(24)12-28-19(25)18-15(20)6-5-7-16(18)21/h5-11H,3-4,12H2,1-2H3,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.9958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.44 g/mol  logS: -4.92098  SlogP: 2.7908  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390961  Sterimol/B1: 2.55014  Sterimol/B2: 3.16178  Sterimol/B3: 5.40726
  Sterimol/B4: 6.49872  Sterimol/L: 20.103 
 
 Surface and Volume Properties
  Accessible surface: 676.87  Positive charged surface: 369.334  Negative charged surface: 307.536  Volume: 364.875
  Hydrophobic surface: 502.86  Hydrophilic surface: 174.01
 
 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.