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ENAMINE-ZINC03420171

 MMsINC code: MMs01431439
Type: Neutral
Formula: C15H16FNO2S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1C)c1cc(ccc1C)C
InChI:   InChI=1/C15H16FNO2S/c1-10-4-5-11(2)15(8-10)20(18,19)17-14-7-6-13(16)9-12(14)3/h4-9,17H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.2986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.362 g/mol  logS: -4.13656  SlogP: 3.55176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137271  Sterimol/B1: 3.25666  Sterimol/B2: 3.77828  Sterimol/B3: 4.12168
  Sterimol/B4: 7.0768  Sterimol/L: 12.9967 
 
 Surface and Volume Properties
  Accessible surface: 488.672  Positive charged surface: 244.194  Negative charged surface: 244.478  Volume: 264
  Hydrophobic surface: 423.889  Hydrophilic surface: 64.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.