MMsINC Database Search


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MMsINC code: MMs03201485

Type: Ionized
Formula: C₁₄H₃₈N₆+2

SMILES:

[NH+](CCCCCC[NH+](CCN)CCN)(CCN)CCN

InChI:

InChI=1/C14H36N6/c15-5-11-19(12-6-16)9-3-1-2-4-10-20(13-7-17)14-8-18/h1-18H2/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9043 kcal/mol

Physical Properties
Molecular Weight: 290.5 g/mol	logS: 1.08994	SlogP: -3.8486	Reactive groups: 0

Topological Properties
Globularity: 0.0748909	Sterimol/B1: 3.39657	Sterimol/B2: 4.42165	Sterimol/B3: 4.68928
Sterimol/B4: 5.11601	Sterimol/L: 17.4747

Surface and Volume Properties
Accessible surface: 671.75	Positive charged surface: 597.526	Negative charged surface: 74.2234	Volume: 342.625
Hydrophobic surface: 374.008	Hydrophilic surface: 297.742

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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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Parent related molecule:

MMs03201484
PUBCHEM-ZINC05113133