MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02767091

Type: Neutral
Formula: C₂₄H₁₈N₄

SMILES:

[nH]1cc(c2c1cccc2)\C=N\c1ccccc1\N=C\c1c2c([nH]c1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3109 kcal/mol

Physical Properties
Molecular Weight: 362.436 g/mol	logS: -5.81416	SlogP: 6.1504	Reactive groups: 0

Topological Properties
Globularity: 0.160882	Sterimol/B1: 2.26154	Sterimol/B2: 3.77431	Sterimol/B3: 6.18868
Sterimol/B4: 9.90635	Sterimol/L: 13.6053

Surface and Volume Properties
Accessible surface: 628.238	Positive charged surface: 362.631	Negative charged surface: 258.504	Volume: 365.125
Hydrophobic surface: 505.938	Hydrophilic surface: 122.3

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.