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MMsINC code: MMs01974285

Type: Ionized
Formula: C₁₁H₁₀F₂NO₄-

SMILES:

FC(F)Oc1ccccc1C(=O)NC(C(=O)[O-])C

InChI:

InChI=1/C11H11F2NO4/c1-6(10(16)17)14-9(15)7-4-2-3-5-8(7)18-11(12)13/h2-6,11H,1H3,(H,14,15)(H,16,17)/p-1/t6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.3871 kcal/mol

Physical Properties
Molecular Weight: 258.2 g/mol	logS: -2.24876	SlogP: 0.5761	Reactive groups: 0

Topological Properties
Globularity: 0.0832372	Sterimol/B1: 2.09319	Sterimol/B2: 4.29108	Sterimol/B3: 4.41701
Sterimol/B4: 5.44111	Sterimol/L: 12.4474

Surface and Volume Properties
Accessible surface: 433.651	Positive charged surface: 210.698	Negative charged surface: 222.952	Volume: 212.625
Hydrophobic surface: 225.923	Hydrophilic surface: 207.728

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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:

MMs01974284
IFLAB-ZINC00119262