MMsINC Database Search


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MMsINC code: MMs00191072

Type: Neutral
Formula: C₁₀H₁₁N₆+

SMILES:

[nH+]1c2c(n(c1)CNn1cnnc1)cccc2

InChI:

InChI=1/C10H10N6/c1-2-4-10-9(3-1)11-5-15(10)8-14-16-6-12-13-7-16/h1-7,14H,8H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.27502 kcal/mol

Physical Properties
Molecular Weight: 215.24 g/mol	logS: -1.36384	SlogP: 0.5145	Reactive groups: 0

Topological Properties
Globularity: 0.0327867	Sterimol/B1: 2.39963	Sterimol/B2: 3.20615	Sterimol/B3: 3.35088
Sterimol/B4: 5.75091	Sterimol/L: 13.2632

Surface and Volume Properties
Accessible surface: 426.002	Positive charged surface: 294.407	Negative charged surface: 131.595	Volume: 204.5
Hydrophobic surface: 276.091	Hydrophilic surface: 149.911

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00191073
ASINEX-ZINC00847952