MMsINC Database Search


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MMsINC code: MMs02671669

Type: Neutral
Formula: C₁₉H₁₄N₂

SMILES:

n1ccc2c(cccc2)c1Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C19H14N2/c1-3-9-16-14(6-1)8-5-11-18(16)21-19-17-10-4-2-7-15(17)12-13-20-19/h1-13H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9439 kcal/mol

Physical Properties
Molecular Weight: 270.335 g/mol	logS: -5.81408	SlogP: 5.1316	Reactive groups: 0

Topological Properties
Globularity: 0.0240618	Sterimol/B1: 2.32539	Sterimol/B2: 3.22534	Sterimol/B3: 3.2737
Sterimol/B4: 6.55313	Sterimol/L: 14.6463

Surface and Volume Properties
Accessible surface: 499.459	Positive charged surface: 271.542	Negative charged surface: 206.691	Volume: 271.875
Hydrophobic surface: 484.932	Hydrophilic surface: 14.527

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.