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MMsINC code: MMs01904794

Type: Tautomer
Formula: C₁₉H₁₄FNO₅

SMILES:

Fc1ccccc1C\1N(C(=O)C(=O)/C/1=C(/O)\C)c1ccc(cc1)C(O)=O

InChI:

InChI=1/C19H14FNO5/c1-10(22)15-16(13-4-2-3-5-14(13)20)21(18(24)17(15)23)12-8-6-11(7-9-12)19(25)26/h2-9,16,22H,1H3,(H,25,26)/b15-10-/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6362 kcal/mol

Physical Properties
Molecular Weight: 355.321 g/mol	logS: -4.1903	SlogP: 3.1084	Reactive groups: 1

Topological Properties
Globularity: 0.142338	Sterimol/B1: 2.35187	Sterimol/B2: 5.37708	Sterimol/B3: 5.43484
Sterimol/B4: 6.14173	Sterimol/L: 14.4836

Surface and Volume Properties
Accessible surface: 535.346	Positive charged surface: 270.64	Negative charged surface: 264.706	Volume: 305.5
Hydrophobic surface: 332.125	Hydrophilic surface: 203.221

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

search links for this molecule:

Parent related molecule:

MMs01904792
IBS-ZINC04888546