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ENAMINE-ZINC02163533

 MMsINC code: MMs01248263
Type: Neutral
Formula: C7H6FNO
SMILES:   Fc1cc(ccc1)\C=N/O
InChI:   InChI=1/C7H6FNO/c8-7-3-1-2-6(4-7)5-9-10/h1-5,10H/b9-5+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.10485e+08 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.129 g/mol  logS: -1.50119  SlogP: 1.6338  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.63548e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09877  Sterimol/B3: 2.82769
  Sterimol/B4: 5.12745  Sterimol/L: 10.8272 
 
 Surface and Volume Properties
  Accessible surface: 312.441  Positive charged surface: 164.486  Negative charged surface: 147.955  Volume: 127.875
  Hydrophobic surface: 217.169  Hydrophilic surface: 95.272
 
 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.