MMsINC Database Search


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

MMsINC code: MMs02220697

Type: Neutral
Formula: C₁₄H₁₈N₂+2

SMILES:

[n+]1(ccccc1CCc1[n+](cccc1)C)C

InChI:

InChI=1/C14H18N2/c1-15-11-5-3-7-13(15)9-10-14-8-4-6-12-16(14)2/h3-8,11-12H,9-10H2,1-2H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1938 kcal/mol

Physical Properties
Molecular Weight: 214.312 g/mol	logS: -0.77808	SlogP: 1.83914	Reactive groups: 0

Topological Properties
Globularity: 0.038492	Sterimol/B1: 2.12585	Sterimol/B2: 2.65777	Sterimol/B3: 3.03323
Sterimol/B4: 6.50261	Sterimol/L: 14.0557

Surface and Volume Properties
Accessible surface: 447.832	Positive charged surface: 336.31	Negative charged surface: 111.522	Volume: 232
Hydrophobic surface: 365.686	Hydrophilic surface: 82.146

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
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.