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MMsINC code: MMs02861267

Type: Ionized
Formula: C₄H₆N₂O₄-2

SMILES:

O=C([O-])C(NN)CC(=O)[O-]

InChI:

InChI=1/C4H8N2O4/c5-6-2(4(9)10)1-3(7)8/h2,6H,1,5H2,(H,7,8)(H,9,10)/p-2/t2-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.0455 kcal/mol

Physical Properties
Molecular Weight: 146.102 g/mol	logS: 0.34367	SlogP: -4.2918	Reactive groups: 0

Topological Properties
Globularity: 0.281301	Sterimol/B1: 2.40406	Sterimol/B2: 3.6019	Sterimol/B3: 3.64081
Sterimol/B4: 4.30826	Sterimol/L: 8.52941

Surface and Volume Properties
Accessible surface: 295.215	Positive charged surface: 133.615	Negative charged surface: 161.6	Volume: 116.625
Hydrophobic surface: 39.1687	Hydrophilic surface: 256.0463

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 4	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs02861266
PUBCHEM-ZINC02036304