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PUBCHEM-ZINC02004845

 MMsINC code: MMs02845455
Type: Neutral
Formula: C17H12FNS
SMILES:   S1c2c(-c3nc4c(cccc4)c(c3C1)C)cccc2F
InChI:   InChI=1/C17H12FNS/c1-10-11-5-2-3-8-15(11)19-16-12-6-4-7-14(18)17(12)20-9-13(10)16/h2-8H,9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.5296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.354 g/mol  logS: -6.2813  SlogP: 5.22142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0200983  Sterimol/B1: 2.1643  Sterimol/B2: 2.51301  Sterimol/B3: 3.237
  Sterimol/B4: 7.39399  Sterimol/L: 14.1898 
 
 Surface and Volume Properties
  Accessible surface: 467.479  Positive charged surface: 237.476  Negative charged surface: 220.878  Volume: 256.125
  Hydrophobic surface: 404.122  Hydrophilic surface: 63.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.