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MMsINC code: MMs01349027

Type: Neutral
Formula: C₁₄H₁₀F₂NO₃-

SMILES:

FC(F)Oc1ccc(Nc2ccccc2C(=O)[O-])cc1

InChI:

InChI=1/C14H11F2NO3/c15-14(16)20-10-7-5-9(6-8-10)17-12-4-2-1-3-11(12)13(18)19/h1-8,14,17H,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.8201 kcal/mol

Physical Properties
Molecular Weight: 278.234 g/mol	logS: -3.3693	SlogP: 2.815	Reactive groups: 0

Topological Properties
Globularity: 0.0261354	Sterimol/B1: 2.56853	Sterimol/B2: 3.08613	Sterimol/B3: 3.19147
Sterimol/B4: 6.14572	Sterimol/L: 14.8484

Surface and Volume Properties
Accessible surface: 466.448	Positive charged surface: 215.766	Negative charged surface: 250.682	Volume: 237.875
Hydrophobic surface: 301.19	Hydrophilic surface: 165.258

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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

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Ions/Tautomers related molecules

MMs01349028
ENAMINE-ZINC03282889