MMsINC Database Search


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MMsINC code: MMs03459394

Type: Neutral
Formula: C₁₃H₂₄N₂+2

SMILES:

[N+](CCc1[n+](cccc1)CC)(CC)(C)C

InChI:

InChI=1/C13H24N2/c1-5-14-11-8-7-9-13(14)10-12-15(3,4)6-2/h7-9,11H,5-6,10,12H2,1-4H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2029 kcal/mol

Physical Properties
Molecular Weight: 208.349 g/mol	logS: -0.60624	SlogP: 1.89917	Reactive groups: 0

Topological Properties
Globularity: 0.119107	Sterimol/B1: 2.4734	Sterimol/B2: 2.79686	Sterimol/B3: 4.17038
Sterimol/B4: 7.23746	Sterimol/L: 13.2889

Surface and Volume Properties
Accessible surface: 447.066	Positive charged surface: 353.868	Negative charged surface: 93.1972	Volume: 242.625
Hydrophobic surface: 346.774	Hydrophilic surface: 100.292

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

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Ions/Tautomers related molecules: no related molecules available.