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MMsINC code: MMs02228074

Type: Tautomer
Formula: C₂₄H₃₄N₂+2

SMILES:

[NH+]1(CC[NH+](CC1)C(Cc1ccccc1)c1ccccc1)C1CCCCC1

InChI:

InChI=1/C24H32N2/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2/p+2/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.607 kcal/mol

Physical Properties
Molecular Weight: 350.55 g/mol	logS: -4.55479	SlogP: 2.18197	Reactive groups: 0

Topological Properties
Globularity: 0.129544	Sterimol/B1: 2.53229	Sterimol/B2: 3.88293	Sterimol/B3: 3.89485
Sterimol/B4: 11.7603	Sterimol/L: 14.5839

Surface and Volume Properties
Accessible surface: 652.585	Positive charged surface: 471.665	Negative charged surface: 180.92	Volume: 393.375
Hydrophobic surface: 628.58	Hydrophilic surface: 24.005

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs02228073
NCID-ZINC01566911