MMsINC Database Search


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MMsINC code: MMs02877560

Type: Neutral
Formula: C₂₄H₂₆N₂+2

SMILES:

[n+]1(cc2c(cccc2)cc1)CCCCCC[n+]1cc2c(cccc2)cc1

InChI:

InChI=1/C24H26N2/c1(7-15-25-17-13-21-9-3-5-11-23(21)19-25)2-8-16-26-18-14-22-10-4-6-12-24(22)20-26/h3-6,9-14,17-20H,1-2,7-8,15-16H2/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.2135 kcal/mol

Physical Properties
Molecular Weight: 342.486 g/mol	logS: -4.96502	SlogP: 5.3614	Reactive groups: 0

Topological Properties
Globularity: 0.0212089	Sterimol/B1: 2.83739	Sterimol/B2: 4.02972	Sterimol/B3: 4.10369
Sterimol/B4: 4.65591	Sterimol/L: 22.768

Surface and Volume Properties
Accessible surface: 681.75	Positive charged surface: 462.319	Negative charged surface: 197.289	Volume: 369.875
Hydrophobic surface: 618.989	Hydrophilic surface: 62.761

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.