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MMsINC code: MMs03314204

Type: Neutral
Formula: C₁₆H₁₁F₃N₂O₄

SMILES:

FC(F)(F)C(=O)Nc1cc(ccc1)C(=O)Nc1ccccc1C(O)=O

InChI:

InChI=1/C16H11F3N2O4/c17-16(18,19)15(25)20-10-5-3-4-9(8-10)13(22)21-12-7-2-1-6-11(12)14(23)24/h1-8H,(H,20,25)(H,21,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.154 kcal/mol

Physical Properties
Molecular Weight: 352.268 g/mol	logS: -4.60935	SlogP: 3.5578	Reactive groups: 0

Topological Properties
Globularity: 0.0258752	Sterimol/B1: 2.51711	Sterimol/B2: 3.05245	Sterimol/B3: 3.11712
Sterimol/B4: 7.2468	Sterimol/L: 16.0046

Surface and Volume Properties
Accessible surface: 547.196	Positive charged surface: 241.901	Negative charged surface: 305.294	Volume: 280.125
Hydrophobic surface: 275.147	Hydrophilic surface: 272.049

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

MMs03314205
PUBCHEM-ZINC05583858