MMsINC Database Search


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MMsINC code: MMs01058847

Type: Neutral
Formula: C₂₀H₁₆N₄O₂

SMILES:

O(C)c1cc(NC(=O)c2ccc(-n3c4ncccc4nc3)cc2)ccc1

InChI:

InChI=1/C20H16N4O2/c1-26-17-5-2-4-15(12-17)23-20(25)14-7-9-16(10-8-14)24-13-22-18-6-3-11-21-19(18)24/h2-13H,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.656 kcal/mol

Physical Properties
Molecular Weight: 344.374 g/mol	logS: -5.52174	SlogP: 3.6814	Reactive groups: 0

Topological Properties
Globularity: 0.0126043	Sterimol/B1: 2.69345	Sterimol/B2: 2.95123	Sterimol/B3: 3.2878
Sterimol/B4: 5.79179	Sterimol/L: 19.7261

Surface and Volume Properties
Accessible surface: 606.186	Positive charged surface: 392.631	Negative charged surface: 213.555	Volume: 326.125
Hydrophobic surface: 522.834	Hydrophilic surface: 83.352

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.