MMsINC Database Search


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MMsINC code: MMs00491627

Type: Neutral
Formula: C₁₉H₁₆N₂O

SMILES:

Oc1ccccc1\C=N\c1ccc(Nc2ccccc2)cc1

InChI:

InChI=1/C19H16N2O/c22-19-9-5-4-6-15(19)14-20-16-10-12-18(13-11-16)21-17-7-2-1-3-8-17/h1-14,21-22H/b20-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5824 kcal/mol

Physical Properties
Molecular Weight: 288.35 g/mol	logS: -4.56799	SlogP: 4.8864	Reactive groups: 0

Topological Properties
Globularity: 0.045766	Sterimol/B1: 2.22721	Sterimol/B2: 3.05112	Sterimol/B3: 3.98821
Sterimol/B4: 6.27635	Sterimol/L: 18.2044

Surface and Volume Properties
Accessible surface: 553.556	Positive charged surface: 328.33	Negative charged surface: 225.226	Volume: 291.25
Hydrophobic surface: 483.074	Hydrophilic surface: 70.482

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.