MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01724165

Type: Neutral
Formula: C₁₈H₁₆N₂O₃S₂

SMILES:

S(CC(=O)Nc1cc(S(=O)(=O)N)ccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C18H16N2O3S2/c19-25(22,23)17-7-3-6-15(11-17)20-18(21)12-24-16-9-8-13-4-1-2-5-14(13)10-16/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)=63.4394 kcal/mol

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

Topological Properties
Globularity: 0.0123047	Sterimol/B1: 2.73343	Sterimol/B2: 3.24338	Sterimol/B3: 3.51445
Sterimol/B4: 5.4496	Sterimol/L: 20.1235

Surface and Volume Properties
Accessible surface: 621.963	Positive charged surface: 305.416	Negative charged surface: 305.476	Volume: 325.625
Hydrophobic surface: 413.204	Hydrophilic surface: 208.759

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

search links for this molecule:

Ions/Tautomers related molecules

MMs01724166
ENAMINE-ZINC07191709