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ENAMINE-ZINC06649189

 MMsINC code: MMs01690511
Type: Neutral
Formula: C18H18FNO4S
SMILES:   S(=O)(=O)(N(C)C)c1cc(ccc1)COC(=O)\C=C\c1cc(F)ccc1
InChI:   InChI=1/C18H18FNO4S/c1-20(2)25(22,23)17-8-4-6-15(12-17)13-24-18(21)10-9-14-5-3-7-16(19)11-14/h3-12H,13H2,1-2H3/b10-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.2143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.409 g/mol  logS: -4.24887  SlogP: 3.099  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669518  Sterimol/B1: 2.30501  Sterimol/B2: 3.94623  Sterimol/B3: 4.83806
  Sterimol/B4: 7.63674  Sterimol/L: 19.4284 
 
 Surface and Volume Properties
  Accessible surface: 624.462  Positive charged surface: 349.384  Negative charged surface: 275.078  Volume: 326.75
  Hydrophobic surface: 521.49  Hydrophilic surface: 102.972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.