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PUBCHEM-ZINC03742528

 MMsINC code: MMs03067440
Type: Neutral
Formula: C19H18FNO2
SMILES:   Fc1c2[nH]c(-c3ccc(cc3)C(C)C)c(c2ccc1)CC(O)=O
InChI:   InChI=1/C19H18FNO2/c1-11(2)12-6-8-13(9-7-12)18-15(10-17(22)23)14-4-3-5-16(20)19(14)21-18/h3-9,11,21H,10H2,1-2H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.0671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.356 g/mol  logS: -5.90017  SlogP: 4.72447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0545144  Sterimol/B1: 2.03794  Sterimol/B2: 4.15405  Sterimol/B3: 4.71202
  Sterimol/B4: 6.40926  Sterimol/L: 15.8624 
 
 Surface and Volume Properties
  Accessible surface: 550.167  Positive charged surface: 315.179  Negative charged surface: 231.65  Volume: 300.75
  Hydrophobic surface: 409.305  Hydrophilic surface: 140.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03067441
PUBCHEM-ZINC03742528