MMsINC Database Search


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

MMsINC code: MMs00821829

Type: Neutral
Formula: C₁₄H₂₂N₂

SMILES:

N(CCN(C)C)(C)C1Cc2c(C1)cccc2

InChI:

InChI=1/C14H22N2/c1-15(2)8-9-16(3)14-10-12-6-4-5-7-13(12)11-14/h4-7,14H,8-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9661 kcal/mol

Physical Properties
Molecular Weight: 218.344 g/mol	logS: -1.39956	SlogP: 1.64714	Reactive groups: 0

Topological Properties
Globularity: 0.0601074	Sterimol/B1: 2.4353	Sterimol/B2: 3.41878	Sterimol/B3: 4.43533
Sterimol/B4: 5.17146	Sterimol/L: 15.2552

Surface and Volume Properties
Accessible surface: 482.016	Positive charged surface: 386.483	Negative charged surface: 95.5329	Volume: 248
Hydrophobic surface: 477.914	Hydrophilic surface: 4.102

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00821831
CHEMBRIDGE-ZINC04989544