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MMsINC code: MMs03188065

Type: Neutral
Formula: C₁₅H₁₈N₂O₄S₂

SMILES:

S(=O)(=O)(NCc1ccc(S(=O)(=O)N)cc1)c1cc(ccc1C)C

InChI:

InChI=1/C15H18N2O4S2/c1-11-3-4-12(2)15(9-11)23(20,21)17-10-13-5-7-14(8-6-13)22(16,18)19/h3-9,17H,10H2,1-2H3,(H2,16,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.6047 kcal/mol

Physical Properties
Molecular Weight: 354.451 g/mol	logS: -3.85176	SlogP: 1.69574	Reactive groups: 0

Topological Properties
Globularity: 0.0995559	Sterimol/B1: 2.40902	Sterimol/B2: 2.54393	Sterimol/B3: 5.83996
Sterimol/B4: 6.91724	Sterimol/L: 16.8546

Surface and Volume Properties
Accessible surface: 569.595	Positive charged surface: 290.667	Negative charged surface: 278.928	Volume: 304.75
Hydrophobic surface: 364.721	Hydrophilic surface: 204.874

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03188066
PUBCHEM-ZINC04991496