MMsINC Database Search


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

MMsINC code: MMs00016406

Type: Neutral
Formula: C₂₃H₂₅N₂+

SMILES:

[N+](C)(C)=C1C=CC(C=C1)=C(c1ccc(N(C)C)cc1)c1ccccc1

InChI:

InChI=1/C23H25N2/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/h5-17H,1-4H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.732 kcal/mol

Physical Properties
Molecular Weight: 329.467 g/mol	logS: -5.34842	SlogP: 4.21089	Reactive groups: 0

Topological Properties
Globularity: 0.083388	Sterimol/B1: 2.40912	Sterimol/B2: 3.979	Sterimol/B3: 4.71461
Sterimol/B4: 9.19457	Sterimol/L: 16.4378

Surface and Volume Properties
Accessible surface: 623.073	Positive charged surface: 455.405	Negative charged surface: 164.749	Volume: 354.75
Hydrophobic surface: 617.025	Hydrophilic surface: 6.048

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.