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MMsINC code: MMs03801787

Type: Neutral
Formula: C₁₃H₁₂N₂O₅S₂

SMILES:

S(=O)(=O)(N)c1ccc(NC(=O)c2ccccc2S(O)=O)cc1

InChI:

InChI=1/C13H12N2O5S2/c14-22(19,20)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)21(17)18/h1-8H,(H,15,16)(H,17,18)(H2,14,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0499 kcal/mol

Physical Properties
Molecular Weight: 340.38 g/mol	logS: -3.78103	SlogP: 0.6012	Reactive groups: 0

Topological Properties
Globularity: 0.0287803	Sterimol/B1: 2.51723	Sterimol/B2: 2.76463	Sterimol/B3: 3.76668
Sterimol/B4: 7.36815	Sterimol/L: 16.3109

Surface and Volume Properties
Accessible surface: 529.683	Positive charged surface: 270.46	Negative charged surface: 259.223	Volume: 268.75
Hydrophobic surface: 276.504	Hydrophilic surface: 253.179

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs03801788
PUBCHEM-ZINC06567821