MMsINC Database Search


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

MMsINC code: MMs02276970

Type: Neutral
Formula: C₂₀H₂₈N₂

SMILES:

N(C)(C)c1ccc(cc1)C(CCC)c1ccc(N(C)C)cc1

InChI:

InChI=1/C20H28N2/c1-6-7-20(16-8-12-18(13-9-16)21(2)3)17-10-14-19(15-11-17)22(4)5/h8-15,20H,6-7H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.8 kcal/mol

Physical Properties
Molecular Weight: 296.458 g/mol	logS: -4.90174	SlogP: 4.7506	Reactive groups: 0

Topological Properties
Globularity: 0.149645	Sterimol/B1: 2.1226	Sterimol/B2: 2.81073	Sterimol/B3: 4.92668
Sterimol/B4: 9.63172	Sterimol/L: 15.737

Surface and Volume Properties
Accessible surface: 606.675	Positive charged surface: 485.695	Negative charged surface: 120.98	Volume: 334.125
Hydrophobic surface: 584.438	Hydrophilic surface: 22.237

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.