MMsINC Database Search


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MMsINC code: MMs00686216

Type: Neutral
Formula: C₂₄H₁₈N₄

SMILES:

n1ccccc1\C=N\c1ccc(cc1)-c1ccc(\N=C\c2ncccc2)cc1

InChI:

InChI=1/C24H18N4/c1-3-15-25-23(5-1)17-27-21-11-7-19(8-12-21)20-9-13-22(14-10-20)28-18-24-6-2-4-16-26-24/h1-18H/b27-17+,28-18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.865 kcal/mol

Physical Properties
Molecular Weight: 362.436 g/mol	logS: -5.4503	SlogP: 5.6448	Reactive groups: 0

Topological Properties
Globularity: 0.0165097	Sterimol/B1: 2.16168	Sterimol/B2: 3.28385	Sterimol/B3: 3.85553
Sterimol/B4: 4.65419	Sterimol/L: 24.6143

Surface and Volume Properties
Accessible surface: 692.094	Positive charged surface: 409.033	Negative charged surface: 272.286	Volume: 369.25
Hydrophobic surface: 612.303	Hydrophilic surface: 79.791

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.