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APOLLO-ZINC00389602

 MMsINC code: MMs00048755
Type: Neutral
Formula: C7H7FO2
SMILES:   Fc1cccc(OC)c1O
InChI:   InChI=1/C7H7FO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.129 g/mol  logS: -1.36829  SlogP: 1.5399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0297181  Sterimol/B1: 2.32788  Sterimol/B2: 2.41773  Sterimol/B3: 4.17603
  Sterimol/B4: 4.27201  Sterimol/L: 9.77283 
 
 Surface and Volume Properties
  Accessible surface: 310.916  Positive charged surface: 199.85  Negative charged surface: 111.065  Volume: 127.75
  Hydrophobic surface: 254.013  Hydrophilic surface: 56.903
 
 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.