MMsINC Database Search


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MMsINC code: MMs02425946

Type: Neutral
Formula: C₂₀H₁₄N₂

SMILES:

N(=Nc1c2c(ccc1)cccc2)c1c2c(ccc1)cccc2

InChI:

InChI=1/C20H14N2/c1-3-11-17-15(7-1)9-5-13-19(17)21-22-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H/b22-21+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.8079 kcal/mol

Physical Properties
Molecular Weight: 282.346 g/mol	logS: -7.03344	SlogP: 6.4084	Reactive groups: 0

Topological Properties
Globularity: 1.44092e-06	Sterimol/B1: 2.10158	Sterimol/B2: 2.10721	Sterimol/B3: 3.93988
Sterimol/B4: 6.46618	Sterimol/L: 16.0624

Surface and Volume Properties
Accessible surface: 536.425	Positive charged surface: 252.594	Negative charged surface: 261.688	Volume: 287.375
Hydrophobic surface: 536.425	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.