MMsINC Database Search


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

MMsINC code: MMs02708256

Type: Neutral
Formula: C₁₉H₂₆N₂

SMILES:

N(CC)(CC)c1ccc(NCc2ccc(cc2)CC)cc1

InChI:

InChI=1/C19H26N2/c1-4-16-7-9-17(10-8-16)15-20-18-11-13-19(14-12-18)21(5-2)6-3/h7-14,20H,4-6,15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.3195 kcal/mol

Physical Properties
Molecular Weight: 282.431 g/mol	logS: -4.52021	SlogP: 4.97367	Reactive groups: 0

Topological Properties
Globularity: 0.0360041	Sterimol/B1: 3.27817	Sterimol/B2: 3.7591	Sterimol/B3: 4.17281
Sterimol/B4: 4.82235	Sterimol/L: 18.6242

Surface and Volume Properties
Accessible surface: 600.776	Positive charged surface: 406.896	Negative charged surface: 193.879	Volume: 315.125
Hydrophobic surface: 497.096	Hydrophilic surface: 103.68

Pharmacophoric Properties
Hydrogen bond donors: 1	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.