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ENAMINE-ZINC06652265

 MMsINC code: MMs01692816
Type: Neutral
Formula: C18H19FN2O3S2
SMILES:   S1CCC(NC(=O)CN(S(=O)(=O)c2ccc(F)cc2)C)c2c1cccc2
InChI:   InChI=1/C18H19FN2O3S2/c1-21(26(23,24)14-8-6-13(19)7-9-14)12-18(22)20-16-10-11-25-17-5-3-2-4-15(16)17/h2-9,16H,10-12H2,1H3,(H,20,22)/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=68.055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.491 g/mol  logS: -4.9059  SlogP: 2.895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.089818  Sterimol/B1: 2.16796  Sterimol/B2: 2.97893  Sterimol/B3: 5.49131
  Sterimol/B4: 8.04706  Sterimol/L: 17.0167 
 
 Surface and Volume Properties
  Accessible surface: 598.719  Positive charged surface: 342.037  Negative charged surface: 256.682  Volume: 341.625
  Hydrophobic surface: 484.836  Hydrophilic surface: 113.883
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.