MMsINC Database Search


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MMsINC code: MMs02996502

Type: Neutral
Formula: C₂₆H₃₀N₂+2

SMILES:

[n+]1(c2c(ccc1C)cccc2)CCCCCC[n+]1c2c(ccc1C)cccc2

InChI:

InChI=1/C26H30N2/c1-21-15-17-23-11-5-7-13-25(23)27(21)19-9-3-4-10-20-28-22(2)16-18-24-12-6-8-14-26(24)28/h5-8,11-18H,3-4,9-10,19-20H2,1-2H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.407 kcal/mol

Physical Properties
Molecular Weight: 370.54 g/mol	logS: -5.5294	SlogP: 5.97824	Reactive groups: 0

Topological Properties
Globularity: 0.0284156	Sterimol/B1: 2.3167	Sterimol/B2: 2.75182	Sterimol/B3: 3.66939
Sterimol/B4: 8.45084	Sterimol/L: 18.7313

Surface and Volume Properties
Accessible surface: 679.439	Positive charged surface: 427.274	Negative charged surface: 241.387	Volume: 396.625
Hydrophobic surface: 645.805	Hydrophilic surface: 33.634

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.