MMsINC Database Search


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MMsINC code: MMs02486897

Type: Neutral
Formula: C₁₈H₁₄N₂

SMILES:

N(=Nc1ccccc1)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C18H14N2/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-19-17-9-5-2-6-10-17/h1-14H/b20-19+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9986 kcal/mol

Physical Properties
Molecular Weight: 258.324 g/mol	logS: -5.70406	SlogP: 5.769	Reactive groups: 0

Topological Properties
Globularity: 3.83505e-07	Sterimol/B1: 2.10146	Sterimol/B2: 2.10187	Sterimol/B3: 3.58827
Sterimol/B4: 4.38344	Sterimol/L: 18.3293

Surface and Volume Properties
Accessible surface: 523.982	Positive charged surface: 249.61	Negative charged surface: 263.301	Volume: 269
Hydrophobic surface: 523.982	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.