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CHEMDIV-ZINC04893240

MMsINC code: MMs00961734

Type: Neutral
Formula: C17H15F2NO3S
SMILES:   S(=O)(=O)(C1(CC1)C(=O)Nc1cc(F)ccc1F)c1ccc(cc1)C
InChI:   InChI=1/C17H15F2NO3S/c1-11-2-5-13(6-3-11)24(22,23)17(8-9-17)16(21)20-15-10-12(18)4-7-14(15)19/h2-7,10H,8-9H2,1H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=83.0278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.373 g/mol  logS: -5.13826  SlogP: 3.21822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.235128  Sterimol/B1: 1.97737  Sterimol/B2: 3.87086  Sterimol/B3: 4.57991
  Sterimol/B4: 10.0992  Sterimol/L: 12.107 
 
 Surface and Volume Properties
  Accessible surface: 537.095  Positive charged surface: 254.038  Negative charged surface: 283.057  Volume: 297.5
  Hydrophobic surface: 432.371  Hydrophilic surface: 104.724
 
 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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.