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NCID-ZINC01656234

MMsINC code: MMs02294746

Type: Tautomer
Formula: C₆H₇N₅

SMILES:

[nH]1c2c(nc1NC)ncnc2

InChI:

InChI=1/C6H7N5/c1-7-6-10-4-2-8-3-9-5(4)11-6/h2-3H,1H3,(H2,7,8,9,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.62401 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 149.157 g/mol	logS: -1.87014	SlogP: 0.3946	Reactive groups: 0

Topological Properties
Globularity: 0.0130391	Sterimol/B1: 2.37512	Sterimol/B2: 2.37527	Sterimol/B3: 3.57919
Sterimol/B4: 3.61337	Sterimol/L: 11.7166

Surface and Volume Properties
Accessible surface: 325.28	Positive charged surface: 261.326	Negative charged surface: 63.9542	Volume: 136.5
Hydrophobic surface: 166.112	Hydrophilic surface: 159.168

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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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Parent related molecule:

MMs02294745
NCID-ZINC01656234