MMsINC Database Search


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MMsINC code: MMs00698070

Type: Neutral
Formula: C₂₆H₂₀N₄

SMILES:

n1n(cc(c1-c1ccccc1)C1Nc2c3c(ccc2)cccc3N1)-c1ccccc1

InChI:

InChI=1/C26H20N4/c1-3-9-19(10-4-1)25-21(17-30(29-25)20-13-5-2-6-14-20)26-27-22-15-7-11-18-12-8-16-23(28-26)24(18)22/h1-17,26-28H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.894 kcal/mol

Physical Properties
Molecular Weight: 388.474 g/mol	logS: -7.20224	SlogP: 6.3242	Reactive groups: 0

Topological Properties
Globularity: 0.220293	Sterimol/B1: 2.097	Sterimol/B2: 4.26457	Sterimol/B3: 4.56029
Sterimol/B4: 10.4795	Sterimol/L: 14.834

Surface and Volume Properties
Accessible surface: 626.878	Positive charged surface: 350.145	Negative charged surface: 268.494	Volume: 382.5
Hydrophobic surface: 570.558	Hydrophilic surface: 56.32

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.