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MMsINC code: MMs02384505

Type: Neutral
Formula: C₁₀H₁₇N₆+

SMILES:

[nH+]1c2ncnc(N)c2[nH]c1NCCCCC

InChI:

InChI=1/C10H16N6/c1-2-3-4-5-12-10-15-7-8(11)13-6-14-9(7)16-10/h6H,2-5H2,1H3,(H4,11,12,13,14,15,16)/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-34.0463 kcal/mol

Physical Properties
Molecular Weight: 221.288 g/mol	logS: -3.43731	SlogP: 0.9563	Reactive groups: 0

Topological Properties
Globularity: 0.0152866	Sterimol/B1: 2.37904	Sterimol/B2: 2.38224	Sterimol/B3: 3.63759
Sterimol/B4: 4.96594	Sterimol/L: 16.6

Surface and Volume Properties
Accessible surface: 466.124	Positive charged surface: 381.745	Negative charged surface: 84.3795	Volume: 220.375
Hydrophobic surface: 213.547	Hydrophilic surface: 252.577

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02384506
NCID-ZINC04367296