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MMsINC code: MMs02865187

Type: Neutral
Formula: C₁₄H₁₀F₃NO₂

SMILES:

FC(F)(F)c1ccccc1Nc1ccccc1C(O)=O

InChI:

InChI=1/C14H10F3NO2/c15-14(16,17)10-6-2-4-8-12(10)18-11-7-3-1-5-9(11)13(19)20/h1-8,18H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.9284 kcal/mol

Physical Properties
Molecular Weight: 281.233 g/mol	logS: -4.03115	SlogP: 4.4587	Reactive groups: 0

Topological Properties
Globularity: 0.273059	Sterimol/B1: 3.78339	Sterimol/B2: 4.08897	Sterimol/B3: 4.58499
Sterimol/B4: 5.16835	Sterimol/L: 12.3599

Surface and Volume Properties
Accessible surface: 451.693	Positive charged surface: 212.162	Negative charged surface: 239.53	Volume: 233.375
Hydrophobic surface: 282.919	Hydrophilic surface: 168.774

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

MMs02865188
PUBCHEM-ZINC02046924