MMsINC Database Search


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

MMsINC code: MMs01503552

Type: Neutral
Formula: C₁₉H₁₆FNO₄

SMILES:

Fc1cc(ccc1OC)COC(=O)c1nc(oc1C)-c1ccccc1

InChI:

InChI=1/C19H16FNO4/c1-12-17(21-18(25-12)14-6-4-3-5-7-14)19(22)24-11-13-8-9-16(23-2)15(20)10-13/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7606 kcal/mol

Physical Properties
Molecular Weight: 341.338 g/mol	logS: -5.84637	SlogP: 4.42112	Reactive groups: 0

Topological Properties
Globularity: 0.0443855	Sterimol/B1: 1.97954	Sterimol/B2: 3.08681	Sterimol/B3: 4.60142
Sterimol/B4: 9.72574	Sterimol/L: 17.5366

Surface and Volume Properties
Accessible surface: 623.069	Positive charged surface: 374.046	Negative charged surface: 249.023	Volume: 315.875
Hydrophobic surface: 548.735	Hydrophilic surface: 74.334

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.