MMsINC Database Search


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MMsINC code: MMs02214639

Type: Neutral
Formula: C₁₉H₁₆N₂O

SMILES:

O=C(Nc1ccccc1-c1ccccc1)Nc1ccccc1

InChI:

InChI=1/C19H16N2O/c22-19(20-16-11-5-2-6-12-16)21-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-14H,(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4233 kcal/mol

Physical Properties
Molecular Weight: 288.35 g/mol	logS: -5.67843	SlogP: 4.9976	Reactive groups: 0

Topological Properties
Globularity: 0.0542043	Sterimol/B1: 2.51064	Sterimol/B2: 2.9668	Sterimol/B3: 3.61536
Sterimol/B4: 9.17804	Sterimol/L: 15.3902

Surface and Volume Properties
Accessible surface: 539.569	Positive charged surface: 298.54	Negative charged surface: 237.065	Volume: 290.375
Hydrophobic surface: 497.565	Hydrophilic surface: 42.004

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