MMsINC Database Search


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

MMsINC code: MMs00025037

Type: Neutral
Formula: C₂₃H₂₆N₂

SMILES:

N(C)(C)c1ccc(cc1)C(c1ccc(N(C)C)cc1)=C1C=CCC=C1

InChI:

InChI=1/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h6-17H,5H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.582 kcal/mol

Physical Properties
Molecular Weight: 330.475 g/mol	logS: -5.17546	SlogP: 4.95389	Reactive groups: 0

Topological Properties
Globularity: 0.101939	Sterimol/B1: 2.30763	Sterimol/B2: 2.42286	Sterimol/B3: 4.88463
Sterimol/B4: 10.3694	Sterimol/L: 16.3027

Surface and Volume Properties
Accessible surface: 634.216	Positive charged surface: 494.873	Negative charged surface: 136.695	Volume: 363.25
Hydrophobic surface: 600.715	Hydrophilic surface: 33.501

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.