MMsINC Database Search


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MMsINC code: MMs02157952

Type: Neutral
Formula: C₆H₁₈N₄+2

SMILES:

[NH+](CCN(C(=[NH2+])N)C)(C)C

InChI:

InChI=1/C6H16N4/c1-9(2)4-5-10(3)6(7)8/h4-5H2,1-3H3,(H3,7,8)/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-19.606 kcal/mol

Physical Properties
Molecular Weight: 146.238 g/mol	logS: 0.3458	SlogP: -3.8635	Reactive groups: 0

Topological Properties
Globularity: 0.121092	Sterimol/B1: 2.36375	Sterimol/B2: 2.8338	Sterimol/B3: 4.01599
Sterimol/B4: 4.96316	Sterimol/L: 11.4173

Surface and Volume Properties
Accessible surface: 369.82	Positive charged surface: 351.389	Negative charged surface: 18.4307	Volume: 170.875
Hydrophobic surface: 198.845	Hydrophilic surface: 170.975

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 4
Chiral centers: 0

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

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Ions/Tautomers related molecules

MMs02157954
MAYBRIDGE-ZINC01606363