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MMsINC code: MMs03314131

Type: Ionized
Formula: C₁₆H₁₂F₂NO₄-

SMILES:

FC(F)Oc1ccccc1C(=O)NCc1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C16H13F2NO4/c17-16(18)23-13-4-2-1-3-12(13)14(20)19-9-10-5-7-11(8-6-10)15(21)22/h1-8,16H,9H2,(H,19,20)(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4337 kcal/mol

Physical Properties
Molecular Weight: 320.271 g/mol	logS: -3.66301	SlogP: 2.2678	Reactive groups: 0

Topological Properties
Globularity: 0.077037	Sterimol/B1: 2.51903	Sterimol/B2: 3.57148	Sterimol/B3: 4.04973
Sterimol/B4: 7.10114	Sterimol/L: 16.1184

Surface and Volume Properties
Accessible surface: 541.93	Positive charged surface: 259.729	Negative charged surface: 282.202	Volume: 275.5
Hydrophobic surface: 332.095	Hydrophilic surface: 209.835

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

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Parent related molecule:

MMs03314130
PUBCHEM-ZINC05583665