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MMsINC code: MMs01919036

Type: Tautomer
Formula: C₂₃H₁₇FN₂O₄

SMILES:

Fc1ccc(cc1)C1N(C(=O)C(=O)C1C(=O)c1cc(OC)ccc1)c1ncccc1

InChI:

InChI=1/C23H17FN2O4/c1-30-17-6-4-5-15(13-17)21(27)19-20(14-8-10-16(24)11-9-14)26(23(29)22(19)28)18-7-2-3-12-25-18/h2-13,19-20H,1H3/t19-,20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.43 kcal/mol

Physical Properties
Molecular Weight: 404.397 g/mol	logS: -4.98328	SlogP: 3.4809	Reactive groups: 0

Topological Properties
Globularity: 0.106856	Sterimol/B1: 3.79351	Sterimol/B2: 4.82242	Sterimol/B3: 4.91298
Sterimol/B4: 6.26592	Sterimol/L: 17.2361

Surface and Volume Properties
Accessible surface: 599.926	Positive charged surface: 359.435	Negative charged surface: 240.491	Volume: 361.25
Hydrophobic surface: 489.653	Hydrophilic surface: 110.273

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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:

MMs01919034
IBS-ZINC05052897