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ENAMINE-ZINC03313678

 MMsINC code: MMs01365522
Type: Neutral
Formula: C20H23F3N2O3S
SMILES:   S(=O)(=O)(NC(C(CC)C)C(=O)NCc1ccccc1)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C20H23F3N2O3S/c1-3-14(2)18(19(26)24-13-15-8-5-4-6-9-15)25-29(27,28)17-11-7-10-16(12-17)20(21,22)23/h4-12,14,18,25H,3,13H2,1-2H3,(H,24,26)/t14-,18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.4187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.475 g/mol  logS: -5.46585  SlogP: 4.2927  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21707  Sterimol/B1: 2.16607  Sterimol/B2: 5.10425  Sterimol/B3: 6.62448
  Sterimol/B4: 6.83553  Sterimol/L: 14.4334 
 
 Surface and Volume Properties
  Accessible surface: 648.47  Positive charged surface: 306.268  Negative charged surface: 342.202  Volume: 372.125
  Hydrophobic surface: 426.064  Hydrophilic surface: 222.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.