MMsINC Database Search


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

MMsINC code: MMs00791415

Type: Neutral
Formula: C₂₀H₁₆FN₃O₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1

InChI:

InChI=1/C20H16FN3O2/c21-16-9-7-15(8-10-16)19(25)24-18-6-2-1-5-17(18)20(26)23-13-14-4-3-11-22-12-14/h1-12H,13H2,(H,23,26)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8475 kcal/mol

Physical Properties
Molecular Weight: 349.365 g/mol	logS: -4.30574	SlogP: 3.6694	Reactive groups: 0

Topological Properties
Globularity: 0.044776	Sterimol/B1: 2.69173	Sterimol/B2: 3.6258	Sterimol/B3: 3.79247
Sterimol/B4: 9.21503	Sterimol/L: 17.9909

Surface and Volume Properties
Accessible surface: 613.036	Positive charged surface: 357.11	Negative charged surface: 255.925	Volume: 322.25
Hydrophobic surface: 531.15	Hydrophilic surface: 81.886

Pharmacophoric Properties
Hydrogen bond donors: 2	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.