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MMsINC code: MMs02626380

Type: Neutral
Formula: C₂₀H₁₈N₄O₂

SMILES:

O(c1ccc(NC(=O)Nc2ccc(cc2)C(N)=N)cc1)c1ccccc1

InChI:

InChI=1/C20H18N4O2/c21-19(22)14-6-8-15(9-7-14)23-20(25)24-16-10-12-18(13-11-16)26-17-4-2-1-3-5-17/h1-13H,(H3,21,22)(H2,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.6387 kcal/mol

Physical Properties
Molecular Weight: 346.39 g/mol	logS: -5.48764	SlogP: 4.40697	Reactive groups: 0

Topological Properties
Globularity: 0.029938	Sterimol/B1: 3.02822	Sterimol/B2: 3.37643	Sterimol/B3: 4.79354
Sterimol/B4: 5.94173	Sterimol/L: 20.5196

Surface and Volume Properties
Accessible surface: 620.173	Positive charged surface: 362.407	Negative charged surface: 257.766	Volume: 330.625
Hydrophobic surface: 444.769	Hydrophilic surface: 175.404

Pharmacophoric Properties
Hydrogen bond donors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02626381
PUBCHEM-ZINC00009048