MMsINC Database Search


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MMsINC code: MMs02262658

Type: Neutral
Formula: C₆H₆N₂O₄S

SMILES:

S(O)(=O)(=O)N=Nc1ccc(O)cc1

InChI:

InChI=1/C6H6N2O4S/c9-6-3-1-5(2-4-6)7-8-13(10,11)12/h1-4,9H,(H,10,11,12)/b8-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.254 kcal/mol

Physical Properties
Molecular Weight: 202.19 g/mol	logS: -1.22434	SlogP: 0.713	Reactive groups: 0

Topological Properties
Globularity: 0.0219404	Sterimol/B1: 2.52285	Sterimol/B2: 2.95025	Sterimol/B3: 3.16841
Sterimol/B4: 5.19465	Sterimol/L: 12.6324

Surface and Volume Properties
Accessible surface: 370.046	Positive charged surface: 162.174	Negative charged surface: 207.872	Volume: 150.5
Hydrophobic surface: 180.995	Hydrophilic surface: 189.051

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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

MMs02262659
NCID-ZINC01612240