MMsINC Database Search


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

MMsINC code: MMs02362798

Type: Neutral
Formula: C₁₆H₁₅FN₂O₃

SMILES:

Fc1ccc(NC(=O)N(C)c2ccccc2C(OC)=O)cc1

InChI:

InChI=1/C16H15FN2O3/c1-19(14-6-4-3-5-13(14)15(20)22-2)16(21)18-12-9-7-11(17)8-10-12/h3-10H,1-2H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.305 kcal/mol

Physical Properties
Molecular Weight: 302.305 g/mol	logS: -3.82277	SlogP: 3.2806	Reactive groups: 0

Topological Properties
Globularity: 0.16834	Sterimol/B1: 1.969	Sterimol/B2: 4.65599	Sterimol/B3: 6.28031
Sterimol/B4: 6.40662	Sterimol/L: 14.4887

Surface and Volume Properties
Accessible surface: 530.277	Positive charged surface: 343.481	Negative charged surface: 186.796	Volume: 277.875
Hydrophobic surface: 489.502	Hydrophilic surface: 40.775

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.