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ASINEX-ZINC00350635

 MMsINC code: MMs00122511
Type: Neutral
Formula: C19H20FNO3
SMILES:   Fc1ccc(NC(=O)C(C(Cc2ccc(cc2)C)C(O)=O)C)cc1
InChI:   InChI=1/C19H20FNO3/c1-12-3-5-14(6-4-12)11-17(19(23)24)13(2)18(22)21-16-9-7-15(20)8-10-16/h3-10,13,17H,11H2,1-2H3,(H,21,22)(H,23,24)/t13-,17+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.3208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.371 g/mol  logS: -4.02125  SlogP: 3.65219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0592705  Sterimol/B1: 2.84415  Sterimol/B2: 3.27654  Sterimol/B3: 3.57137
  Sterimol/B4: 7.54167  Sterimol/L: 16.7309 
 
 Surface and Volume Properties
  Accessible surface: 582.047  Positive charged surface: 339.609  Negative charged surface: 242.438  Volume: 313.125
  Hydrophobic surface: 479.726  Hydrophilic surface: 102.321
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00122512
ASINEX-ZINC00350635