MMsINC Database Search


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

MMsINC code: MMs00405134

Type: Neutral
Formula: C₂₆H₂₃N₂+

SMILES:

[n+]1(ccccc1\C=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)C

InChI:

InChI=1/C26H23N2/c1-27-21-9-8-10-23(27)18-15-22-16-19-26(20-17-22)28(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-21H,1H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.646 kcal/mol

Physical Properties
Molecular Weight: 363.484 g/mol	logS: -5.97169	SlogP: 6.5105	Reactive groups: 0

Topological Properties
Globularity: 0.0784627	Sterimol/B1: 2.3935	Sterimol/B2: 4.54713	Sterimol/B3: 5.92626
Sterimol/B4: 7.3924	Sterimol/L: 18.5236

Surface and Volume Properties
Accessible surface: 668.395	Positive charged surface: 403.375	Negative charged surface: 265.02	Volume: 386.125
Hydrophobic surface: 623.512	Hydrophilic surface: 44.883

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.