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APOLLO-ZINC02560324

 MMsINC code: MMs00053862
Type: Neutral
Formula: C9H9FO
SMILES:   Fc1ccc(cc1C(=O)C)C
InChI:   InChI=1/C9H9FO/c1-6-3-4-9(10)8(5-6)7(2)11/h3-5H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.3045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.168 g/mol  logS: -2.46605  SlogP: 2.33672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327686  Sterimol/B1: 2.10455  Sterimol/B2: 2.31259  Sterimol/B3: 2.5123
  Sterimol/B4: 6.06163  Sterimol/L: 10.0312 
 
 Surface and Volume Properties
  Accessible surface: 334.232  Positive charged surface: 180.707  Negative charged surface: 153.525  Volume: 148.75
  Hydrophobic surface: 296.703  Hydrophilic surface: 37.529
 
 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.