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MMsINC code: MMs02273666

Type: Ionized
Formula: C₁₀H₈N₂O₇S₂-2

SMILES:

S(=O)(=O)([O-])c1cc(NN)c2c(c1)cc(S(=O)(=O)[O-])cc2O

InChI:

InChI=1/C10H10N2O7S2/c11-12-8-3-6(20(14,15)16)1-5-2-7(21(17,18)19)4-9(13)10(5)8/h1-4,12-13H,11H2,(H,14,15,16)(H,17,18,19)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2624 kcal/mol

Physical Properties
Molecular Weight: 332.313 g/mol	logS: -2.8448	SlogP: -0.3608	Reactive groups: 0

Topological Properties
Globularity: 0.0304589	Sterimol/B1: 3.21767	Sterimol/B2: 3.31901	Sterimol/B3: 3.796
Sterimol/B4: 6.8983	Sterimol/L: 13.0212

Surface and Volume Properties
Accessible surface: 470.224	Positive charged surface: 158.628	Negative charged surface: 300.443	Volume: 233.375
Hydrophobic surface: 126.99	Hydrophilic surface: 343.234

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 6	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

search links for this molecule:

Parent related molecule:

MMs02273665
NCID-ZINC01627612