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ENAMINE-ZINC03532653

 MMsINC code: MMs01494513
Type: Neutral
Formula: C14H13F2NO2S
SMILES:   S(=O)(=O)(Nc1cc(cc(c1)C)C)c1c(F)cccc1F
InChI:   InChI=1/C14H13F2NO2S/c1-9-6-10(2)8-11(7-9)17-20(18,19)14-12(15)4-3-5-13(14)16/h3-8,17H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.3382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.325 g/mol  logS: -4.58452  SlogP: 3.38244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.308113  Sterimol/B1: 2.26708  Sterimol/B2: 3.70065  Sterimol/B3: 5.44144
  Sterimol/B4: 7.20644  Sterimol/L: 11.4673 
 
 Surface and Volume Properties
  Accessible surface: 475.815  Positive charged surface: 247.491  Negative charged surface: 228.324  Volume: 252.875
  Hydrophobic surface: 399.259  Hydrophilic surface: 76.556
 
 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.