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MMsINC code: MMs03221142

Type: Ionized
Formula: C₃H₄N₂O₃S-2

SMILES:

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

InChI:

InChI=1/C3H6N2O3S/c6-3(7)2(1-9)4-5-8/h2,9H,1H2,(H,4,8)(H,6,7)/p-2/t2-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.5722 kcal/mol

Physical Properties
Molecular Weight: 148.142 g/mol	logS: -1.0938	SlogP: -2.0772	Reactive groups: 0

Topological Properties
Globularity: 0.291295	Sterimol/B1: 2.90558	Sterimol/B2: 3.17535	Sterimol/B3: 4.0123
Sterimol/B4: 4.76836	Sterimol/L: 9.01936

Surface and Volume Properties
Accessible surface: 296.1	Positive charged surface: 73.9931	Negative charged surface: 222.107	Volume: 113.125
Hydrophobic surface: 122.613	Hydrophilic surface: 173.487

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 3	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:

MMs03221140
PUBCHEM-ZINC05178956