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MMsINC code: MMs02886062

Type: Ionized
Formula: C₁₆H₁₁F₃NO₄-

SMILES:

FC(F)(F)Oc1ccc(NC(=O)c2ccccc2CC(=O)[O-])cc1

InChI:

InChI=1/C16H12F3NO4/c17-16(18,19)24-12-7-5-11(6-8-12)20-15(23)13-4-2-1-3-10(13)9-14(21)22/h1-8H,9H2,(H,20,23)(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.1896 kcal/mol

Physical Properties
Molecular Weight: 338.261 g/mol	logS: -4.83552	SlogP: 2.54977	Reactive groups: 0

Topological Properties
Globularity: 0.0432743	Sterimol/B1: 2.57706	Sterimol/B2: 3.69039	Sterimol/B3: 3.86686
Sterimol/B4: 6.04324	Sterimol/L: 16.8045

Surface and Volume Properties
Accessible surface: 522.703	Positive charged surface: 209.91	Negative charged surface: 312.792	Volume: 275
Hydrophobic surface: 312.913	Hydrophilic surface: 209.79

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02886061
PUBCHEM-ZINC02381050