MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02980122

Type: Neutral
Formula: C₂₁H₁₂F₄N₂O₃

SMILES:

Fc1cc2c(Oc3nc(C)c(cc3C2=O)C(=O)Nc2cc(ccc2)C(F)(F)F)cc1

InChI:

InChI=1/C21H12F4N2O3/c1-10-14(19(29)27-13-4-2-3-11(7-13)21(23,24)25)9-16-18(28)15-8-12(22)5-6-17(15)30-20(16)26-10/h2-9H,1H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.736 kcal/mol

Physical Properties
Molecular Weight: 416.33 g/mol	logS: -6.69467	SlogP: 5.44842	Reactive groups: 0

Topological Properties
Globularity: 0.0127225	Sterimol/B1: 2.29008	Sterimol/B2: 2.33048	Sterimol/B3: 3.75732
Sterimol/B4: 8.00723	Sterimol/L: 19.1566

Surface and Volume Properties
Accessible surface: 612.501	Positive charged surface: 273.832	Negative charged surface: 338.67	Volume: 334.5
Hydrophobic surface: 422.498	Hydrophilic surface: 190.003

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.