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ENAMINE-ZINC03393128

 MMsINC code: MMs01415025
Type: Neutral
Formula: C18H16FNO7S
SMILES:   s1c(C(OC)=O)c(C)c(C(OC)=O)c1NC(=O)COC(=O)c1ccccc1F
InChI:   InChI=1/C18H16FNO7S/c1-9-13(17(23)25-2)15(28-14(9)18(24)26-3)20-12(21)8-27-16(22)10-6-4-5-7-11(10)19/h4-7H,8H2,1-3H3,(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.39 g/mol  logS: -5.09988  SlogP: 2.56432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0110491  Sterimol/B1: 2.95829  Sterimol/B2: 3.27018  Sterimol/B3: 6.16876
  Sterimol/B4: 7.55788  Sterimol/L: 17.854 
 
 Surface and Volume Properties
  Accessible surface: 675.648  Positive charged surface: 413.577  Negative charged surface: 262.07  Volume: 343.625
  Hydrophobic surface: 531.738  Hydrophilic surface: 143.91
 
 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.