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MMsINC code: MMs03450873

Type: Neutral
Formula: C₁₀H₁₀N₂O₆S₂

SMILES:

S(O)(=O)(=O)c1c2c(cc(S(O)(=O)=O)c1)ccc(N)c2N

InChI:

InChI=1/C10H10N2O6S2/c11-7-2-1-5-3-6(19(13,14)15)4-8(20(16,17)18)9(5)10(7)12/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1419 kcal/mol

Physical Properties
Molecular Weight: 318.33 g/mol	logS: -2.80466	SlogP: -0.6338	Reactive groups: 0

Topological Properties
Globularity: 0.0377195	Sterimol/B1: 2.48466	Sterimol/B2: 3.01286	Sterimol/B3: 3.09953
Sterimol/B4: 8.35485	Sterimol/L: 12.8174

Surface and Volume Properties
Accessible surface: 447.279	Positive charged surface: 203.811	Negative charged surface: 233.05	Volume: 228.25
Hydrophobic surface: 144.486	Hydrophilic surface: 302.793

Pharmacophoric Properties
Hydrogen bond donors: 8	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

MMs03450874
PUBCHEM-ZINC05932929