MMsINC Database Search


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

MMsINC code: MMs02299176

Type: Neutral
Formula: C₂₆H₃₀N+

SMILES:

[N+](Cc1cccc(CC=C(c2ccccc2)c2ccccc2)c1C)(C)(C)C

InChI:

InChI=1/C26H30N/c1-21-22(16-11-17-25(21)20-27(2,3)4)18-19-26(23-12-7-5-8-13-23)24-14-9-6-10-15-24/h5-17,19H,18,20H2,1-4H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.79 kcal/mol

Physical Properties
Molecular Weight: 356.533 g/mol	logS: -6.62646	SlogP: 5.95928	Reactive groups: 0

Topological Properties
Globularity: 0.121211	Sterimol/B1: 2.50701	Sterimol/B2: 4.88043	Sterimol/B3: 6.04344
Sterimol/B4: 7.17644	Sterimol/L: 16.0963

Surface and Volume Properties
Accessible surface: 655.189	Positive charged surface: 442.48	Negative charged surface: 212.709	Volume: 391.5
Hydrophobic surface: 600.438	Hydrophilic surface: 54.751

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.