MMsINC Database Search


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MMsINC code: MMs01765267

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

[nH]1c2c(cc1-c1ccc(cc1)-c1ccc(N)cc1)cccc2

InChI:

InChI=1/C20H16N2/c21-18-11-9-15(10-12-18)14-5-7-16(8-6-14)20-13-17-3-1-2-4-19(17)22-20/h1-13,22H,21H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.5421 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -6.21722	SlogP: 5.0841	Reactive groups: 0

Topological Properties
Globularity: 3.45095e-07	Sterimol/B1: 2.09797	Sterimol/B2: 2.10591	Sterimol/B3: 3.2871
Sterimol/B4: 4.62692	Sterimol/L: 18.8362

Surface and Volume Properties
Accessible surface: 551.014	Positive charged surface: 276.099	Negative charged surface: 258.451	Volume: 293.125
Hydrophobic surface: 466.252	Hydrophilic surface: 84.762

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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.