MMsINC Database Search


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MMsINC code: MMs00712878

Type: Neutral
Formula: C₂₆H₂₀N₄O₂

SMILES:

O(C)c1cc2c(cc(cc2)-c2nn(cc2C(=O)Nc2ncccc2)-c2ccccc2)cc1

InChI:

InChI=1/C26H20N4O2/c1-32-22-13-12-18-15-20(11-10-19(18)16-22)25-23(26(31)28-24-9-5-6-14-27-24)17-30(29-25)21-7-3-2-4-8-21/h2-17H,1H3,(H,27,28,31)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.836 kcal/mol

Physical Properties
Molecular Weight: 420.472 g/mol	logS: -6.88534	SlogP: 5.3484	Reactive groups: 0

Topological Properties
Globularity: 0.030623	Sterimol/B1: 2.58686	Sterimol/B2: 4.19019	Sterimol/B3: 4.32862
Sterimol/B4: 10.4743	Sterimol/L: 19.6593

Surface and Volume Properties
Accessible surface: 718.502	Positive charged surface: 424.716	Negative charged surface: 284.053	Volume: 404.25
Hydrophobic surface: 637.357	Hydrophilic surface: 81.145

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.