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NCID-ZINC01703851

 MMsINC code: MMs02332804
Type: Neutral
Formula: C5H4FNO
SMILES:   Fc1[n+]([O-])cccc1
InChI:   InChI=1/C5H4FNO/c6-5-3-1-2-4-7(5)8/h1-4H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.1939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 113.091 g/mol  logS: -1.06627  SlogP: 0.4591  Reactive groups: 0
 
 Topological Properties
  Globularity: 5.06732e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09842  Sterimol/B3: 3.44523
  Sterimol/B4: 4.31184  Sterimol/L: 8.24102 
 
 Surface and Volume Properties
  Accessible surface: 258.538  Positive charged surface: 101.248  Negative charged surface: 157.29  Volume: 96.375
  Hydrophobic surface: 200.399  Hydrophilic surface: 58.139
 
 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.