MMsINC Database Search


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

MMsINC code: MMs02249898

Type: Neutral
Formula: C₉H₁₀N₄

SMILES:

n1c(N)c2cc(ccc2nc1N)C

InChI:

InChI=1/C9H10N4/c1-5-2-3-7-6(4-5)8(10)13-9(11)12-7/h2-4H,1H3,(H4,10,11,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=0.151683 kcal/mol

Physical Properties
Molecular Weight: 174.207 g/mol	logS: -2.9631	SlogP: 1.10262	Reactive groups: 0

Topological Properties
Globularity: 0.0100069	Sterimol/B1: 2.1031	Sterimol/B2: 2.51218	Sterimol/B3: 4.41637
Sterimol/B4: 4.70415	Sterimol/L: 11.7539

Surface and Volume Properties
Accessible surface: 368.013	Positive charged surface: 241.048	Negative charged surface: 121.655	Volume: 167.75
Hydrophobic surface: 183.361	Hydrophilic surface: 184.652

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.