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MMsINC code: MMs03174984

Type: Neutral
Formula: C₁₈H₁₆N₂O₃S₂

SMILES:

S(CC(=O)Nc1ccc(S(=O)(=O)N)cc1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C18H16N2O3S2/c19-25(22,23)15-10-8-14(9-11-15)20-18(21)12-24-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,20,21)(H2,19,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9402 kcal/mol

Physical Properties
Molecular Weight: 372.469 g/mol	logS: -6.5072	SlogP: 3.218	Reactive groups: 0

Topological Properties
Globularity: 0.0131303	Sterimol/B1: 3.04754	Sterimol/B2: 3.20704	Sterimol/B3: 3.22589
Sterimol/B4: 6.74214	Sterimol/L: 19.8775

Surface and Volume Properties
Accessible surface: 612.824	Positive charged surface: 304.728	Negative charged surface: 297.025	Volume: 327.75
Hydrophobic surface: 413.854	Hydrophilic surface: 198.97

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs03174985
PUBCHEM-ZINC04820733