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ACROSORGANICS-ZINC01680674

MMsINC code: MMs00010746

Type: Neutral
Formula: C5H4FN
SMILES:   Fc1cccnc1
InChI:   InChI=1/C5H4FN/c6-5-2-1-3-7-4-5/h1-4H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=20.3344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 97.092 g/mol  logS: -0.42172  SlogP: 1.2207  Reactive groups: 0
 
 Topological Properties
  Globularity: 5.73256e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09858  Sterimol/B3: 3.17728
  Sterimol/B4: 3.97894  Sterimol/L: 7.62058 
 
 Surface and Volume Properties
  Accessible surface: 244.116  Positive charged surface: 152.463  Negative charged surface: 91.6528  Volume: 91
  Hydrophobic surface: 228.29  Hydrophilic surface: 15.826
 
 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.