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CHEMDIV-ZINC00183407

 MMsINC code: MMs00836501
Type: Neutral
Formula: C15H15F2NO2S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1F)c1c(cc(cc1C)C)C
InChI:   InChI=1/C15H15F2NO2S/c1-9-6-10(2)15(11(3)7-9)21(19,20)18-14-5-4-12(16)8-13(14)17/h4-8,18H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.2952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.352 g/mol  logS: -4.43154  SlogP: 3.69086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.294248  Sterimol/B1: 2.44281  Sterimol/B2: 3.39286  Sterimol/B3: 5.52386
  Sterimol/B4: 6.3257  Sterimol/L: 12.3669 
 
 Surface and Volume Properties
  Accessible surface: 480.205  Positive charged surface: 245.791  Negative charged surface: 234.413  Volume: 266.125
  Hydrophobic surface: 418.459  Hydrophilic surface: 61.746
 
 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.