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ENAMINE-ZINC03336916

 MMsINC code: MMs01380457
Type: Neutral
Formula: C23H19F5N2O3S
SMILES:   S(=O)(=O)(N(CCC(=O)Nc1cc(F)c(F)cc1)c1ccc(cc1)C)c1cc(ccc1)C(F
)(F)F
InChI:   InChI=1/C23H19F5N2O3S/c1-15-5-8-18(9-6-15)30(12-11-22(31)29-17-7-10-20(24)21(25)14-17)34(32,33)19-4-2-3-16(13-19)23(26,27)28/h2-10,13-14H,11-12H2,1H3,(H,29,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 498.472 g/mol  logS: -7.12108  SlogP: 5.82762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0700755  Sterimol/B1: 2.1092  Sterimol/B2: 3.74068  Sterimol/B3: 4.86538
  Sterimol/B4: 11.7562  Sterimol/L: 18.6124 
 
 Surface and Volume Properties
  Accessible surface: 715.166  Positive charged surface: 306.91  Negative charged surface: 408.256  Volume: 405.125
  Hydrophobic surface: 526.562  Hydrophilic surface: 188.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.