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APOLLO-ZINC02384083

 MMsINC code: MMs00051971
Type: Neutral
Formula: C6H6FNO
SMILES:   Fc1ccc(OC)nc1
InChI:   InChI=1/C6H6FNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.2746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 127.118 g/mol  logS: -0.78336  SlogP: 1.2293  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0230268  Sterimol/B1: 2.37422  Sterimol/B2: 2.37617  Sterimol/B3: 3.82054
  Sterimol/B4: 3.97686  Sterimol/L: 10.0716 
 
 Surface and Volume Properties
  Accessible surface: 294.16  Positive charged surface: 205.889  Negative charged surface: 88.2716  Volume: 115.75
  Hydrophobic surface: 268.969  Hydrophilic surface: 25.191
 
 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.