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MMsINC code: MMs01768587

Type: Tautomer
Formula: C₂₃H₁₇FN₂O₄

SMILES:

Fc1cc(ccc1)C1N(C(=O)C(=O)C1C(=O)c1cc(OC)ccc1)c1ncccc1

InChI:

InChI=1/C23H17FN2O4/c1-30-17-9-5-7-15(13-17)21(27)19-20(14-6-4-8-16(24)12-14)26(23(29)22(19)28)18-10-2-3-11-25-18/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)=105.846 kcal/mol

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

Topological Properties
Globularity: 0.108646	Sterimol/B1: 4.04589	Sterimol/B2: 4.66362	Sterimol/B3: 4.82256
Sterimol/B4: 6.27541	Sterimol/L: 17.2335

Surface and Volume Properties
Accessible surface: 599.999	Positive charged surface: 357.593	Negative charged surface: 242.406	Volume: 361.125
Hydrophobic surface: 489.727	Hydrophilic surface: 110.272

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:

MMs01768584
IBS-ZINC01451078