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ASINEX-ZINC02140565

MMsINC code: MMs00264216

Type: Ionized
Formula: C₅H₃N₂O₃-

SMILES:

O=C(C(=O)[O-])c1nc[nH]c1

InChI:

InChI=1/C5H4N2O3/c8-4(5(9)10)3-1-6-2-7-3/h1-2H,(H,6,7)(H,9,10)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.8401 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 139.09 g/mol	logS: -0.70322	SlogP: -1.6577	Reactive groups: 0

Topological Properties
Globularity: 0.0476854	Sterimol/B1: 2.56241	Sterimol/B2: 2.95289	Sterimol/B3: 2.95301
Sterimol/B4: 4.45596	Sterimol/L: 9.21749

Surface and Volume Properties
Accessible surface: 292.357	Positive charged surface: 144.011	Negative charged surface: 148.346	Volume: 112
Hydrophobic surface: 88.6024	Hydrophilic surface: 203.7546

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 2	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:

MMs00264215
ASINEX-ZINC02140565