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ENAMINE-ZINC05130040

 MMsINC code: MMs01592006
Type: Neutral
Formula: C15H10FNS
SMILES:   s1c2c(nc1\C=C\c1ccc(F)cc1)cccc2
InChI:   InChI=1/C15H10FNS/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H/b10-7+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.3529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.316 g/mol  logS: -4.44407  SlogP: 4.6058  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.46394e-07  Sterimol/B1: 2.18366  Sterimol/B2: 2.18634  Sterimol/B3: 3.17269
  Sterimol/B4: 4.72026  Sterimol/L: 16.4759 
 
 Surface and Volume Properties
  Accessible surface: 477.04  Positive charged surface: 217.695  Negative charged surface: 259.345  Volume: 238.375
  Hydrophobic surface: 445.195  Hydrophilic surface: 31.845
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.