MMsINC Database Search


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MMsINC code: MMs01243234

Type: Neutral
Formula: C₂₃H₂₄N₂+2

SMILES:

[n+]1(c2c(cccc2)ccc1)CCCCC[n+]1c2c(cccc2)ccc1

InChI:

InChI=1/C23H24N2/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25/h2-5,8-15,18-19H,1,6-7,16-17H2/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.454 kcal/mol

Physical Properties
Molecular Weight: 328.459 g/mol	logS: -4.70085	SlogP: 4.9713	Reactive groups: 0

Topological Properties
Globularity: 0.0633573	Sterimol/B1: 2.43281	Sterimol/B2: 2.95706	Sterimol/B3: 4.40616
Sterimol/B4: 7.17485	Sterimol/L: 17.1667

Surface and Volume Properties
Accessible surface: 625.145	Positive charged surface: 402.462	Negative charged surface: 212.006	Volume: 350.375
Hydrophobic surface: 575.693	Hydrophilic surface: 49.452

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
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

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Ions/Tautomers related molecules: no related molecules available.