MMsINC Database Search


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MMsINC code: MMs03758298

Type: Neutral
Formula: C₆H₇N₅

SMILES:

[nH]1ncc-2ncnc-2c1NC

InChI:

InChI=1/C6H7N5/c1-7-6-5-4(2-10-11-6)8-3-9-5/h2-3,7,11H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.138 kcal/mol

Physical Properties
Molecular Weight: 149.157 g/mol	logS: -0.64698	SlogP: 0.3462	Reactive groups: 0

Topological Properties
Globularity: 0.0174373	Sterimol/B1: 2.37481	Sterimol/B2: 2.3753	Sterimol/B3: 3.37504
Sterimol/B4: 4.52044	Sterimol/L: 10.0483

Surface and Volume Properties
Accessible surface: 317.696	Positive charged surface: 235.914	Negative charged surface: 81.782	Volume: 136.25
Hydrophobic surface: 188.064	Hydrophilic surface: 129.632

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
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: no related molecules available.