MMsINC Database Search


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MMsINC code: MMs00396669

Type: Neutral
Formula: C₂₆H₁₉N₂+

SMILES:

[n+]1(c2c(cccc2)c(-n2c3c(c4c2cccc4)cccc3)c2c1cccc2)C

InChI:

InChI=1/C26H19N2/c1-27-22-14-6-4-12-20(22)26(21-13-5-7-15-23(21)27)28-24-16-8-2-10-18(24)19-11-3-9-17-25(19)28/h2-17H,1H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.591 kcal/mol

Physical Properties
Molecular Weight: 359.452 g/mol	logS: -7.54417	SlogP: 6.2738	Reactive groups: 0

Topological Properties
Globularity: 0.351816	Sterimol/B1: 5.9612	Sterimol/B2: 5.97426	Sterimol/B3: 6.02861
Sterimol/B4: 6.03615	Sterimol/L: 13.3287

Surface and Volume Properties
Accessible surface: 595.593	Positive charged surface: 340.558	Negative charged surface: 245.601	Volume: 365.375
Hydrophobic surface: 563.722	Hydrophilic surface: 31.871

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: 0

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Ions/Tautomers related molecules: no related molecules available.