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NCID-ZINC05350705

 MMsINC code: MMs02453836
Type: Neutral
Formula: C8H8FNO
SMILES:   FC\C(=N/O)\c1ccccc1
InChI:   InChI=1/C8H8FNO/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H,6H2/b10-8-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.1383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.156 g/mol  logS: -1.8287  SlogP: 1.8344  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0702835  Sterimol/B1: 2.54047  Sterimol/B2: 2.83416  Sterimol/B3: 3.50675
  Sterimol/B4: 4.55096  Sterimol/L: 10.4815 
 
 Surface and Volume Properties
  Accessible surface: 331.756  Positive charged surface: 186.15  Negative charged surface: 145.606  Volume: 144.375
  Hydrophobic surface: 209.236  Hydrophilic surface: 122.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.