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MMsINC code: MMs01909350

Type: Tautomer
Formula: C₂₀H₁₈FNO₅

SMILES:

Fc1ccc(N2C(\C(=C(/O)\C)\C(=O)C2=O)c2ccc(OC)cc2OC)cc1

InChI:

InChI=1/C20H18FNO5/c1-11(23)17-18(15-9-8-14(26-2)10-16(15)27-3)22(20(25)19(17)24)13-6-4-12(21)5-7-13/h4-10,18,23H,1-3H3/b17-11-/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.75 kcal/mol

Physical Properties
Molecular Weight: 371.364 g/mol	logS: -4.32166	SlogP: 3.4274	Reactive groups: 1

Topological Properties
Globularity: 0.351923	Sterimol/B1: 2.26046	Sterimol/B2: 3.47568	Sterimol/B3: 6.79311
Sterimol/B4: 8.37459	Sterimol/L: 13.3744

Surface and Volume Properties
Accessible surface: 566.382	Positive charged surface: 347.019	Negative charged surface: 219.363	Volume: 329.875
Hydrophobic surface: 453.225	Hydrophilic surface: 113.157

Pharmacophoric Properties
Hydrogen bond donors: 2	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:

MMs01909347
IBS-ZINC04956132