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ENAMINE-ZINC02653427

 MMsINC code: MMs01276986
Type: Neutral
Formula: C21H20ClFN2O6S
SMILES:   Clc1ccc(cc1)C(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)c(F)cc1
InChI:   InChI=1/C21H20ClFN2O6S/c22-16-7-4-14(5-8-16)20(27)24-19(26)13-31-21(28)15-6-9-17(23)18(12-15)32(29,30)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H,24,26,27)

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Potential Energy
Epot(MMFF94)=68.5904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.916 g/mol  logS: -5.79137  SlogP: 2.7671  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223685  Sterimol/B1: 2.95797  Sterimol/B2: 4.21061  Sterimol/B3: 4.99127
  Sterimol/B4: 5.27171  Sterimol/L: 24.2326 
 
 Surface and Volume Properties
  Accessible surface: 728.625  Positive charged surface: 383.167  Negative charged surface: 345.458  Volume: 399.875
  Hydrophobic surface: 563.455  Hydrophilic surface: 165.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.