MMsINC Database Search


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MMsINC code: MMs02308262

Type: Neutral
Formula: C₅H₅N₅

SMILES:

n1c2c(ncnc2)n(N)c1

InChI:

InChI=1/C5H5N5/c6-10-3-9-4-1-7-2-8-5(4)10/h1-3H,6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.9502 kcal/mol

Physical Properties
Molecular Weight: 135.13 g/mol	logS: -1.45187	SlogP: -0.4599	Reactive groups: 0

Topological Properties
Globularity: 0.0177434	Sterimol/B1: 2.10454	Sterimol/B2: 2.17683	Sterimol/B3: 2.5869
Sterimol/B4: 4.66102	Sterimol/L: 8.97136

Surface and Volume Properties
Accessible surface: 291.481	Positive charged surface: 227.374	Negative charged surface: 64.1071	Volume: 118.25
Hydrophobic surface: 131.792	Hydrophilic surface: 159.689

Pharmacophoric Properties
Hydrogen bond donors: 1	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.