MMsINC Database Search


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MMsINC code: MMs02220925

Type: Neutral
Formula: C₁₅H₁₀N₆

SMILES:

[nH]1nnnc1-c1nc(nc2c1cccc2)-c1ccccc1

InChI:

InChI=1/C15H10N6/c1-2-6-10(7-3-1)14-16-12-9-5-4-8-11(12)13(17-14)15-18-20-21-19-15/h1-9H,(H,18,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.3846 kcal/mol

Physical Properties
Molecular Weight: 274.287 g/mol	logS: -5.42512	SlogP: 2.4769	Reactive groups: 0

Topological Properties
Globularity: 4.54056e-07	Sterimol/B1: 2.09726	Sterimol/B2: 2.0993	Sterimol/B3: 5.17916
Sterimol/B4: 6.27839	Sterimol/L: 14.0646

Surface and Volume Properties
Accessible surface: 480.632	Positive charged surface: 220.857	Negative charged surface: 215.38	Volume: 252.25
Hydrophobic surface: 379.484	Hydrophilic surface: 101.148

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	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

MMs02220926
NCID-ZINC01557829