MMsINC Database Search


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MMsINC code: MMs00445161

Type: Neutral
Formula: C₁₇H₁₄N₂O₄S₂

SMILES:

s1cc(S(=O)(=O)Nc2ccc(O)cc2)cc1C(=O)Nc1ccccc1

InChI:

InChI=1/C17H14N2O4S2/c20-14-8-6-13(7-9-14)19-25(22,23)15-10-16(24-11-15)17(21)18-12-4-2-1-3-5-12/h1-11,19-20H,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.7546 kcal/mol

Physical Properties
Molecular Weight: 374.441 g/mol	logS: -4.46143	SlogP: 3.5068	Reactive groups: 0

Topological Properties
Globularity: 0.10564	Sterimol/B1: 3.71063	Sterimol/B2: 4.13481	Sterimol/B3: 4.97571
Sterimol/B4: 6.42063	Sterimol/L: 15.0995

Surface and Volume Properties
Accessible surface: 587.554	Positive charged surface: 283.332	Negative charged surface: 304.222	Volume: 315.75
Hydrophobic surface: 413.84	Hydrophilic surface: 173.714

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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: no related molecules available.