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MMsINC code: MMs02824916

Type: Ionized
Formula: C₁₀H₇NO₆S₂-2

SMILES:

S(=O)(=O)([O-])c1c2c(ccc(S(=O)(=O)[O-])c2)c(N)cc1

InChI:

InChI=1/C10H9NO6S2/c11-9-3-4-10(19(15,16)17)8-5-6(18(12,13)14)1-2-7(8)9/h1-5H,11H2,(H,12,13,14)(H,15,16,17)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9503 kcal/mol

Physical Properties
Molecular Weight: 301.299 g/mol	logS: -3.22682	SlogP: 0.2302	Reactive groups: 0

Topological Properties
Globularity: 0.0380141	Sterimol/B1: 3.02972	Sterimol/B2: 3.06008	Sterimol/B3: 3.1354
Sterimol/B4: 7.3174	Sterimol/L: 11.8558

Surface and Volume Properties
Accessible surface: 433.064	Positive charged surface: 124.561	Negative charged surface: 297.934	Volume: 216.375
Hydrophobic surface: 156.842	Hydrophilic surface: 276.222

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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:

MMs02824915
PUBCHEM-ZINC01848636