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PUBCHEM-ZINC03759880

 MMsINC code: MMs03072990
Type: Neutral
Formula: C19H18FNO2
SMILES:   Fc1cc2c([nH]c(-c3ccc(cc3)C(C)C)c2CC(O)=O)cc1
InChI:   InChI=1/C19H18FNO2/c1-11(2)12-3-5-13(6-4-12)19-16(10-18(22)23)15-9-14(20)7-8-17(15)21-19/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)=56.6517 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: 0.0540214  Sterimol/B1: 2.04238  Sterimol/B2: 3.92693  Sterimol/B3: 4.71693
  Sterimol/B4: 6.3839  Sterimol/L: 16.1286 
 
 Surface and Volume Properties
  Accessible surface: 550.388  Positive charged surface: 312.831  Negative charged surface: 234.219  Volume: 297.875
  Hydrophobic surface: 408.314  Hydrophilic surface: 142.074
 
 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


MMs03072991
PUBCHEM-ZINC03759880