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ASINEX-ZINC04967525

 MMsINC code: MMs00416351
Type: Neutral
Formula: C14H16F3NO2
SMILES:   FC(F)(F)c1cc(ccc1)C1(O)CCN(CC1)C(=O)C
InChI:   InChI=1/C14H16F3NO2/c1-10(19)18-7-5-13(20,6-8-18)11-3-2-4-12(9-11)14(15,16)17/h2-4,9,20H,5-8H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.5841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.281 g/mol  logS: -2.83877  SlogP: 3.1583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109913  Sterimol/B1: 2.37672  Sterimol/B2: 3.43647  Sterimol/B3: 4.80176
  Sterimol/B4: 4.99796  Sterimol/L: 14.6845 
 
 Surface and Volume Properties
  Accessible surface: 467.249  Positive charged surface: 242.884  Negative charged surface: 224.365  Volume: 248
  Hydrophobic surface: 300.498  Hydrophilic surface: 166.751
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.