MMsINC Database Search


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MMsINC code: MMs02304823

Type: Neutral
Formula: C₂₄H₂₆N₂+2

SMILES:

[n+]1(cc2c(cc1C)cccc2)CCCC[n+]1cc2c(cc1C)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.506 kcal/mol

Physical Properties
Molecular Weight: 342.486 g/mol	logS: -5.18826	SlogP: 5.19804	Reactive groups: 0

Topological Properties
Globularity: 0.0227827	Sterimol/B1: 2.34722	Sterimol/B2: 2.75217	Sterimol/B3: 3.58205
Sterimol/B4: 7.18082	Sterimol/L: 20.4502

Surface and Volume Properties
Accessible surface: 639.761	Positive charged surface: 407.403	Negative charged surface: 211.919	Volume: 364.625
Hydrophobic surface: 593.342	Hydrophilic surface: 46.419

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.