MMsINC Database Search


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MMsINC code: MMs02178416

Type: Neutral
Formula: C₂₄H₂₀N₄

SMILES:

N(Nc1ccccc1)c1ccc(cc1)-c1ccc(N=Nc2ccccc2)cc1

InChI:

InChI=1/C24H20N4/c1-3-7-21(8-4-1)25-27-23-15-11-19(12-16-23)20-13-17-24(18-14-20)28-26-22-9-5-2-6-10-22/h1-18,25,27H/b28-26+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.113 kcal/mol

Physical Properties
Molecular Weight: 364.452 g/mol	logS: -6.8401	SlogP: 7.208	Reactive groups: 0

Topological Properties
Globularity: 1.86811e-07	Sterimol/B1: 2.10019	Sterimol/B2: 2.10316	Sterimol/B3: 3.9778
Sterimol/B4: 4.11183	Sterimol/L: 24.6764

Surface and Volume Properties
Accessible surface: 687.223	Positive charged surface: 335.066	Negative charged surface: 341.086	Volume: 370.125
Hydrophobic surface: 667.387	Hydrophilic surface: 19.836

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: 1

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Ions/Tautomers related molecules: no related molecules available.