MMsINC Database Search


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

MMsINC code: MMs00131632

Type: Neutral
Formula: C₂₀H₁₆FN₃O₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NCc1cccnc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1231 kcal/mol

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

Topological Properties
Globularity: 0.0261738	Sterimol/B1: 2.45304	Sterimol/B2: 2.93885	Sterimol/B3: 4.94582
Sterimol/B4: 5.86371	Sterimol/L: 20.3757

Surface and Volume Properties
Accessible surface: 612.49	Positive charged surface: 351.081	Negative charged surface: 261.409	Volume: 322.375
Hydrophobic surface: 513.025	Hydrophilic surface: 99.465

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.