MMsINC Database Search


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

MMsINC code: MMs00048841

Type: Neutral
Formula: C₉H₉N₃

SMILES:

n1c2c(cccc2NN)ccc1

InChI:

InChI=1/C9H9N3/c10-12-8-5-1-3-7-4-2-6-11-9(7)8/h1-6,12H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.3373 kcal/mol

Physical Properties
Molecular Weight: 159.192 g/mol	logS: -1.67423	SlogP: 1.5204	Reactive groups: 0

Topological Properties
Globularity: 0.00441714	Sterimol/B1: 2.12312	Sterimol/B2: 2.17302	Sterimol/B3: 2.495
Sterimol/B4: 6.60523	Sterimol/L: 10.8917

Surface and Volume Properties
Accessible surface: 344.33	Positive charged surface: 224.015	Negative charged surface: 114.779	Volume: 156.625
Hydrophobic surface: 241.706	Hydrophilic surface: 102.624

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.