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PUBCHEM-ZINC00403404

 MMsINC code: MMs02676506
Type: Neutral
Formula: C7H8FNO
SMILES:   Fc1cccc(N)c1OC
InChI:   InChI=1/C7H8FNO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.1196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.145 g/mol  logS: -1.45112  SlogP: 1.4165  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0559533  Sterimol/B1: 2.15221  Sterimol/B2: 2.86231  Sterimol/B3: 3.58773
  Sterimol/B4: 4.84035  Sterimol/L: 9.95612 
 
 Surface and Volume Properties
  Accessible surface: 311.36  Positive charged surface: 205.603  Negative charged surface: 105.756  Volume: 132.5
  Hydrophobic surface: 250.136  Hydrophilic surface: 61.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.