MMsINC Database Search


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

MMsINC code: MMs00003730

Type: Neutral
Formula: C₁₆H₂₀N₂

SMILES:

N(C)(C)c1ccc(cc1)-c1ccc(N(C)C)cc1

InChI:

InChI=1/C16H20N2/c1-17(2)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(3)4/h5-12H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.654 kcal/mol

Physical Properties
Molecular Weight: 240.35 g/mol	logS: -3.66608	SlogP: 3.4856	Reactive groups: 0

Topological Properties
Globularity: 0.00920893	Sterimol/B1: 2.35975	Sterimol/B2: 2.51848	Sterimol/B3: 2.5708
Sterimol/B4: 4.89549	Sterimol/L: 16.1567

Surface and Volume Properties
Accessible surface: 500.524	Positive charged surface: 370.632	Negative charged surface: 119.271	Volume: 265
Hydrophobic surface: 500.06	Hydrophilic surface: 0.464

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