MMsINC Database Search


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MMsINC code: MMs02143136

Type: Neutral
Formula: C₁₅H₁₁F₂NO₄

SMILES:

FC(F)Oc1ccc(NC(=O)c2ccccc2C(O)=O)cc1

InChI:

InChI=1/C15H11F2NO4/c16-15(17)22-10-7-5-9(6-8-10)18-13(19)11-3-1-2-4-12(11)14(20)21/h1-8,15H,(H,18,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.4598 kcal/mol

Physical Properties
Molecular Weight: 307.252 g/mol	logS: -3.45852	SlogP: 3.6584	Reactive groups: 0

Topological Properties
Globularity: 0.0625798	Sterimol/B1: 2.50957	Sterimol/B2: 3.58573	Sterimol/B3: 4.05341
Sterimol/B4: 7.25232	Sterimol/L: 16.3343

Surface and Volume Properties
Accessible surface: 501.104	Positive charged surface: 261.925	Negative charged surface: 239.18	Volume: 255.75
Hydrophobic surface: 302.361	Hydrophilic surface: 198.743

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02143137
MAYBRIDGE-ZINC00156456