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MMsINC code: MMs03067281

Type: Neutral
Formula: C₁₉H₁₆F₃NO₂

SMILES:

FC(F)(F)c1c2[nH]c(-c3ccc(cc3)CC)c(c2ccc1)CC(O)=O

InChI:

InChI=1/C19H16F3NO2/c1-2-11-6-8-12(9-7-11)17-14(10-16(24)25)13-4-3-5-15(18(13)23-17)19(20,21)22/h3-9,23H,2,10H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0597 kcal/mol

Physical Properties
Molecular Weight: 347.336 g/mol	logS: -6.14652	SlogP: 5.35464	Reactive groups: 0

Topological Properties
Globularity: 0.0524008	Sterimol/B1: 2.49436	Sterimol/B2: 3.86489	Sterimol/B3: 3.99529
Sterimol/B4: 7.30768	Sterimol/L: 15.8

Surface and Volume Properties
Accessible surface: 561.513	Positive charged surface: 273.481	Negative charged surface: 284.621	Volume: 304.625
Hydrophobic surface: 348.528	Hydrophilic surface: 212.985

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03067282
PUBCHEM-ZINC03742350