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AURORAFEINCHEMIE-ZINC04338797

 MMsINC code: MMs00469531
Type: Neutral
Formula: C18H20FNO2
SMILES:   Fc1ccc(cc1)C(O)C(N1CCOCC1)c1ccccc1
InChI:   InChI=1/C18H20FNO2/c19-16-8-6-15(7-9-16)18(21)17(14-4-2-1-3-5-14)20-10-12-22-13-11-20/h1-9,17-18,21H,10-13H2/t17-,18+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.361 g/mol  logS: -3.40815  SlogP: 3.1236  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147388  Sterimol/B1: 2.4885  Sterimol/B2: 3.31973  Sterimol/B3: 3.96248
  Sterimol/B4: 8.28702  Sterimol/L: 13.6326 
 
 Surface and Volume Properties
  Accessible surface: 505.161  Positive charged surface: 333.396  Negative charged surface: 171.765  Volume: 290.75
  Hydrophobic surface: 465.764  Hydrophilic surface: 39.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00469532
AURORAFEINCHEMIE-ZINC04338797