MMsINC Database Search


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

MMsINC code: MMs02292209

Type: Neutral
Formula: C₇H₈N₄

SMILES:

n1c2c(ncnc2)n(c1)CC

InChI:

InChI=1/C7H8N4/c1-2-11-5-10-6-3-8-4-9-7(6)11/h3-5H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.0241 kcal/mol

Physical Properties
Molecular Weight: 148.169 g/mol	logS: -1.69316	SlogP: 1.1126	Reactive groups: 0

Topological Properties
Globularity: 0.0836335	Sterimol/B1: 2.17627	Sterimol/B2: 3.3877	Sterimol/B3: 3.46744
Sterimol/B4: 4.77588	Sterimol/L: 10.0128

Surface and Volume Properties
Accessible surface: 327.09	Positive charged surface: 259.152	Negative charged surface: 67.9379	Volume: 143.375
Hydrophobic surface: 216.01	Hydrophilic surface: 111.08

Pharmacophoric Properties
Hydrogen bond donors: 0	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.