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ENAMINE-ZINC06982411

 MMsINC code: MMs01717357
Type: Neutral
Formula: C10H10F2NS+
SMILES:   s1c2c([n+](CC)c1C(F)F)cccc2
InChI:   InChI=1/C10H10F2NS/c1-2-13-7-5-3-4-6-8(7)14-10(13)9(11)12/h3-6,9H,2H2,1H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.8309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.259 g/mol  logS: -2.60031  SlogP: 3.5082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0790666  Sterimol/B1: 2.10299  Sterimol/B2: 2.36224  Sterimol/B3: 3.52356
  Sterimol/B4: 6.31706  Sterimol/L: 10.6937 
 
 Surface and Volume Properties
  Accessible surface: 378.382  Positive charged surface: 181.445  Negative charged surface: 196.937  Volume: 186.5
  Hydrophobic surface: 267.29  Hydrophilic surface: 111.092
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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.