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MMsINC code: MMs01770942

Type: Tautomer
Formula: C₂₄H₁₉FN₂O₄

SMILES:

Fc1ccccc1C1N(Cc2cccnc2)C(=O)C(O)=C1C(=O)c1cc(OC)ccc1

InChI:

InChI=1/C24H19FN2O4/c1-31-17-8-4-7-16(12-17)22(28)20-21(18-9-2-3-10-19(18)25)27(24(30)23(20)29)14-15-6-5-11-26-13-15/h2-13,21,29H,14H2,1H3/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.032 kcal/mol

Physical Properties
Molecular Weight: 418.424 g/mol	logS: -4.71772	SlogP: 4.3697	Reactive groups: 1

Topological Properties
Globularity: 0.107672	Sterimol/B1: 4.10528	Sterimol/B2: 4.32166	Sterimol/B3: 4.53475
Sterimol/B4: 6.50965	Sterimol/L: 17.5507

Surface and Volume Properties
Accessible surface: 621.389	Positive charged surface: 402.598	Negative charged surface: 218.79	Volume: 378.75
Hydrophobic surface: 481.025	Hydrophilic surface: 140.364

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:

MMs01770939
IBS-ZINC01479807