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MMsINC code: MMs00472658

Type: Neutral
Formula: C₁₁H₁₁F₃N₂O₄

SMILES:

FC(F)(F)Oc1ccc(NC(=O)NC(C(O)=O)C)cc1

InChI:

InChI=1/C11H11F3N2O4/c1-6(9(17)18)15-10(19)16-7-2-4-8(5-3-7)20-11(12,13)14/h2-6H,1H3,(H,17,18)(H2,15,16,19)/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.96 kcal/mol

Physical Properties
Molecular Weight: 292.213 g/mol	logS: -2.94057	SlogP: 2.5997	Reactive groups: 0

Topological Properties
Globularity: 0.0507199	Sterimol/B1: 1.969	Sterimol/B2: 3.4994	Sterimol/B3: 4.15026
Sterimol/B4: 4.5433	Sterimol/L: 16.8288

Surface and Volume Properties
Accessible surface: 485.26	Positive charged surface: 238.464	Negative charged surface: 246.796	Volume: 228
Hydrophobic surface: 197.271	Hydrophilic surface: 287.989

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	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

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Ions/Tautomers related molecules

MMs00472659
AURORAFEINCHEMIE-ZINC05177667