MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02222401

Type: Neutral
Formula: C₈H₁₀N₄O

SMILES:

O=C(N)c1ccc(N=NNC)cc1

InChI:

InChI=1/C8H10N4O/c1-10-12-11-7-4-2-6(3-5-7)8(9)13/h2-5H,1H3,(H2,9,13)(H,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.3827 kcal/mol

Physical Properties
Molecular Weight: 178.195 g/mol	logS: -1.40323	SlogP: 1.0036	Reactive groups: 0

Topological Properties
Globularity: 0.00605107	Sterimol/B1: 2.37501	Sterimol/B2: 2.37538	Sterimol/B3: 2.62504
Sterimol/B4: 5.07958	Sterimol/L: 13.8783

Surface and Volume Properties
Accessible surface: 397.299	Positive charged surface: 259.692	Negative charged surface: 137.607	Volume: 169.875
Hydrophobic surface: 263.252	Hydrophilic surface: 134.047

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.