MMsINC Database Search


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

MMsINC code: MMs00599693

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)c2cccnc2)cc1

InChI:

InChI=1/C19H16N2O2/c22-19(16-7-4-12-20-13-16)21-17-8-10-18(11-9-17)23-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1883 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -3.91501	SlogP: 4.1793	Reactive groups: 0

Topological Properties
Globularity: 0.027375	Sterimol/B1: 3.3558	Sterimol/B2: 3.6018	Sterimol/B3: 3.6622
Sterimol/B4: 4.35264	Sterimol/L: 20.3904

Surface and Volume Properties
Accessible surface: 586.904	Positive charged surface: 354.597	Negative charged surface: 232.306	Volume: 298.5
Hydrophobic surface: 522.661	Hydrophilic surface: 64.243

Pharmacophoric Properties
Hydrogen bond donors: 1	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.