MMsINC Database Search


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MMsINC code: MMs03341001

Type: Neutral
Formula: C₁₀H₁₀N₄

SMILES:

n1c2c(ncc1\C=N\NC)cccc2

InChI:

InChI=1/C10H10N4/c1-11-13-7-8-6-12-9-4-2-3-5-10(9)14-8/h2-7,11H,1H3/b13-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8468 kcal/mol

Physical Properties
Molecular Weight: 186.218 g/mol	logS: -0.63517	SlogP: 1.1831	Reactive groups: 0

Topological Properties
Globularity: 0.00504607	Sterimol/B1: 2.37505	Sterimol/B2: 2.37506	Sterimol/B3: 3.55519
Sterimol/B4: 4.32661	Sterimol/L: 14.5664

Surface and Volume Properties
Accessible surface: 408.733	Positive charged surface: 299.799	Negative charged surface: 108.934	Volume: 185.75
Hydrophobic surface: 310.953	Hydrophilic surface: 97.78

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.