MMsINC Database Search


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MMsINC code: MMs02331514

Type: Neutral
Formula: C₂₄H₃₈N₂+2

SMILES:

[N+](Cc1ccccc1)(CCCCCC[N+](Cc1ccccc1)(C)C)(C)C

InChI:

InChI=1/C24H38N2/c1-25(2,21-23-15-9-7-10-16-23)19-13-5-6-14-20-26(3,4)22-24-17-11-8-12-18-24/h7-12,15-18H,5-6,13-14,19-22H2,1-4H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.17 kcal/mol

Physical Properties
Molecular Weight: 354.582 g/mol	logS: -3.46844	SlogP: 5.6328	Reactive groups: 0

Topological Properties
Globularity: 0.0272101	Sterimol/B1: 2.41781	Sterimol/B2: 2.85446	Sterimol/B3: 3.97097
Sterimol/B4: 4.81765	Sterimol/L: 23.3399

Surface and Volume Properties
Accessible surface: 696.495	Positive charged surface: 533.476	Negative charged surface: 163.02	Volume: 402.5
Hydrophobic surface: 619.181	Hydrophilic surface: 77.314

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: 0

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Ions/Tautomers related molecules: no related molecules available.