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MMsINC code: MMs03191464

Type: Neutral
Formula: C₁₆H₁₃F₃N₂O₃

SMILES:

FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)CC(O)=O)ccc1

InChI:

InChI=1/C16H13F3N2O3/c17-16(18,19)11-2-1-3-13(9-11)21-15(24)20-12-6-4-10(5-7-12)8-14(22)23/h1-7,9H,8H2,(H,22,23)(H2,20,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7362 kcal/mol

Physical Properties
Molecular Weight: 338.285 g/mol	logS: -4.33947	SlogP: 4.28797	Reactive groups: 0

Topological Properties
Globularity: 0.0407786	Sterimol/B1: 2.11903	Sterimol/B2: 2.45572	Sterimol/B3: 4.7771
Sterimol/B4: 5.74827	Sterimol/L: 18.4741

Surface and Volume Properties
Accessible surface: 554.43	Positive charged surface: 274.93	Negative charged surface: 279.499	Volume: 282.625
Hydrophobic surface: 298.825	Hydrophilic surface: 255.605

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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

MMs03191465
PUBCHEM-ZINC05041247