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MMsINC code: MMs02273665

Type: Neutral
Formula: C₁₀H₁₀N₂O₇S₂

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)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0322 kcal/mol

Physical Properties
Molecular Weight: 334.329 g/mol	logS: -2.70176	SlogP: -0.807	Reactive groups: 0

Topological Properties
Globularity: 0.0367463	Sterimol/B1: 2.84895	Sterimol/B2: 2.97699	Sterimol/B3: 3.63603
Sterimol/B4: 6.87838	Sterimol/L: 13.322

Surface and Volume Properties
Accessible surface: 482.013	Positive charged surface: 207.977	Negative charged surface: 262.965	Volume: 237.625
Hydrophobic surface: 128.079	Hydrophilic surface: 353.934

Pharmacophoric Properties
Hydrogen bond donors: 9	Hydrogen bond acceptors: 8	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

MMs02273666
NCID-ZINC01627612