MMsINC Database Search


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

MMsINC code: MMs02819530

Type: Neutral
Formula: C₈H₁₄N₂

SMILES:

n1cc(n(c1)CCCC)C

InChI:

InChI=1/C8H14N2/c1-3-4-5-10-7-9-6-8(10)2/h6-7H,3-5H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.83703 kcal/mol

Physical Properties
Molecular Weight: 138.214 g/mol	logS: -1.2407	SlogP: 2.25802	Reactive groups: 0

Topological Properties
Globularity: 0.114087	Sterimol/B1: 2.19534	Sterimol/B2: 3.49621	Sterimol/B3: 3.71039
Sterimol/B4: 4.63913	Sterimol/L: 11.5625

Surface and Volume Properties
Accessible surface: 357.843	Positive charged surface: 279.487	Negative charged surface: 78.356	Volume: 158.875
Hydrophobic surface: 310.328	Hydrophilic surface: 47.515

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.