MMsINC Database Search


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

MMsINC code: MMs01231782

Type: Neutral
Formula: C₁₆H₁₈N₂

SMILES:

N(=C\c1ccc(N(C)C)cc1)/c1ccc(cc1)C

InChI:

InChI=1/C16H18N2/c1-13-4-8-15(9-5-13)17-12-14-6-10-16(11-7-14)18(2)3/h4-12H,1-3H3/b17-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7507 kcal/mol

Physical Properties
Molecular Weight: 238.334 g/mol	logS: -3.71095	SlogP: 3.81162	Reactive groups: 0

Topological Properties
Globularity: 0.0180804	Sterimol/B1: 2.65475	Sterimol/B2: 2.80875	Sterimol/B3: 3.75778
Sterimol/B4: 3.77595	Sterimol/L: 17.2388

Surface and Volume Properties
Accessible surface: 515.526	Positive charged surface: 355.126	Negative charged surface: 160.4	Volume: 261.5
Hydrophobic surface: 498.094	Hydrophilic surface: 17.432

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.