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ENAMINE-ZINC05613714

 MMsINC code: MMs01627735
Type: Neutral
Formula: C18H18F2N2O4S
SMILES:   S(=O)(=O)(N1CCN(CC1)C(=O)COc1ccc(F)cc1)c1ccc(F)cc1
InChI:   InChI=1/C18H18F2N2O4S/c19-14-1-5-16(6-2-14)26-13-18(23)21-9-11-22(12-10-21)27(24,25)17-7-3-15(20)4-8-17/h1-8H,9-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.9396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.414 g/mol  logS: -3.94854  SlogP: 1.8767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633365  Sterimol/B1: 2.5238  Sterimol/B2: 4.40228  Sterimol/B3: 5.36876
  Sterimol/B4: 5.5586  Sterimol/L: 18.2388 
 
 Surface and Volume Properties
  Accessible surface: 612.605  Positive charged surface: 330.912  Negative charged surface: 281.693  Volume: 332.375
  Hydrophobic surface: 519.178  Hydrophilic surface: 93.427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.