MMsINC Database Search


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

MMsINC code: MMs00105304

Type: Neutral
Formula: C₁₉H₁₆FNO₄

SMILES:

Fc1ccc(N2C(C(C(=O)C)C(=O)C2=O)c2ccc(OC)cc2)cc1

InChI:

InChI=1/C19H16FNO4/c1-11(22)16-17(12-3-9-15(25-2)10-4-12)21(19(24)18(16)23)14-7-5-13(20)6-8-14/h3-10,16-17H,1-2H3/t16-,17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9937 kcal/mol

Physical Properties
Molecular Weight: 341.338 g/mol	logS: -4.16962	SlogP: 2.792	Reactive groups: 0

Topological Properties
Globularity: 0.238923	Sterimol/B1: 3.03285	Sterimol/B2: 3.58177	Sterimol/B3: 4.45592
Sterimol/B4: 8.7603	Sterimol/L: 13.5536

Surface and Volume Properties
Accessible surface: 558.548	Positive charged surface: 306.816	Negative charged surface: 251.731	Volume: 307.25
Hydrophobic surface: 445.006	Hydrophilic surface: 113.542

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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:

Ions/Tautomers related molecules

MMs00105305 ASINEX-ZINC00273549	MMs00105306 ASINEX-ZINC00273549	MMs00105307 ASINEX-ZINC00273549
MMs00105308 ASINEX-ZINC00273549