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ENAMINE-ZINC06851491

 MMsINC code: MMs01706381
Type: Neutral
Formula: C20H19FN2O4S
SMILES:   s1c2c(nc1C(N(C(=O)COC(=O)c1cc(F)c(OC)cc1)C)C)cccc2
InChI:   InChI=1/C20H19FN2O4S/c1-12(19-22-15-6-4-5-7-17(15)28-19)23(2)18(24)11-27-20(25)13-8-9-16(26-3)14(21)10-13/h4-10,12H,11H2,1-3H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=107.397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.446 g/mol  logS: -4.79059  SlogP: 3.9159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0598878  Sterimol/B1: 2.06573  Sterimol/B2: 2.31075  Sterimol/B3: 5.7604
  Sterimol/B4: 7.68681  Sterimol/L: 20.9612 
 
 Surface and Volume Properties
  Accessible surface: 674.118  Positive charged surface: 407.345  Negative charged surface: 266.773  Volume: 361.125
  Hydrophobic surface: 550.003  Hydrophilic surface: 124.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.