MMsINC Database Search


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MMsINC code: MMs03755597

Type: Neutral
Formula: C₂₆H₂₀N₆

SMILES:

n1nn(c2c1cccc2)C(C(n1nnc2c1cccc2)c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H20N6/c1-3-11-19(12-4-1)25(31-23-17-9-7-15-21(23)27-29-31)26(20-13-5-2-6-14-20)32-24-18-10-8-16-22(24)28-30-32/h1-18,25-26H/t25-,26+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.802 kcal/mol

Physical Properties
Molecular Weight: 416.488 g/mol	logS: -6.0466	SlogP: 5.246	Reactive groups: 0

Topological Properties
Globularity: 0.194542	Sterimol/B1: 2.30799	Sterimol/B2: 4.03594	Sterimol/B3: 4.14123
Sterimol/B4: 10.1136	Sterimol/L: 16.218

Surface and Volume Properties
Accessible surface: 655.102	Positive charged surface: 336.681	Negative charged surface: 318.421	Volume: 403.75
Hydrophobic surface: 577.858	Hydrophilic surface: 77.244

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.