MMsINC Database Search


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MMsINC code: MMs03240619

Type: Neutral
Formula: C₂₄H₂₀N₄

SMILES:

n1c(-c2ccccc2)c(c2c(ccc3n(nnc23)CC)c1-c1ccccc1)C

InChI:

InChI=1/C24H20N4/c1-3-28-20-15-14-19-21(24(20)26-27-28)16(2)22(17-10-6-4-7-11-17)25-23(19)18-12-8-5-9-13-18/h4-15H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.525 kcal/mol

Physical Properties
Molecular Weight: 364.452 g/mol	logS: -6.94845	SlogP: 5.90822	Reactive groups: 0

Topological Properties
Globularity: 0.0574274	Sterimol/B1: 2.32131	Sterimol/B2: 3.43597	Sterimol/B3: 3.93867
Sterimol/B4: 9.91457	Sterimol/L: 16.7204

Surface and Volume Properties
Accessible surface: 634.749	Positive charged surface: 348.432	Negative charged surface: 269.884	Volume: 363.375
Hydrophobic surface: 557.801	Hydrophilic surface: 76.948

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

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Ions/Tautomers related molecules: no related molecules available.