MMsINC Database Search


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MMsINC code: MMs00286342

Type: Neutral
Formula: C₂₄H₂₆N₂+2

SMILES:

[n+]1(c2c(cccc2)c(cc1)C)CCCC[n+]1c2c(cccc2)c(cc1)C

InChI:

InChI=1/C24H26N2/c1-19-13-17-25(23-11-5-3-9-21(19)23)15-7-8-16-26-18-14-20(2)22-10-4-6-12-24(22)26/h3-6,9-14,17-18H,7-8,15-16H2,1-2H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.575 kcal/mol

Physical Properties
Molecular Weight: 342.486 g/mol	logS: -5.44692	SlogP: 5.19804	Reactive groups: 0

Topological Properties
Globularity: 0.0245789	Sterimol/B1: 2.74655	Sterimol/B2: 3.54396	Sterimol/B3: 3.54794
Sterimol/B4: 6.06781	Sterimol/L: 18.237

Surface and Volume Properties
Accessible surface: 636.217	Positive charged surface: 415.679	Negative charged surface: 210.24	Volume: 364.75
Hydrophobic surface: 584.624	Hydrophilic surface: 51.593

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.