MMsINC Database Search


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

MMsINC code: MMs02854383

Type: Neutral
Formula: C₁₄H₂₄N₂+2

SMILES:

[N+](CC[N+]1(Cc2c(C1)cccc2)C)(C)(C)C

InChI:

InChI=1/C14H24N2/c1-15(2,3)9-10-16(4)11-13-7-5-6-8-14(13)12-16/h5-8H,9-12H2,1-4H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.444 kcal/mol

Physical Properties
Molecular Weight: 220.36 g/mol	logS: -1.01586	SlogP: 2.3858	Reactive groups: 0

Topological Properties
Globularity: 0.113959	Sterimol/B1: 2.00239	Sterimol/B2: 2.94459	Sterimol/B3: 4.98171
Sterimol/B4: 5.31751	Sterimol/L: 14.1819

Surface and Volume Properties
Accessible surface: 463.295	Positive charged surface: 386.449	Negative charged surface: 76.8462	Volume: 248.75
Hydrophobic surface: 383.13	Hydrophilic surface: 80.165

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.