MMsINC Database Search


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MMsINC code: MMs02942194

Type: Neutral
Formula: C₁₉H₁₈N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1

InChI:

InChI=1/C19H18N2O4S2/c22-26(23,20-15-16-7-3-1-4-8-16)19-13-11-17(12-14-19)21-27(24,25)18-9-5-2-6-10-18/h1-14,20-21H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.8237 kcal/mol

Physical Properties
Molecular Weight: 402.495 g/mol	logS: -4.6526	SlogP: 3.2323	Reactive groups: 0

Topological Properties
Globularity: 0.0597781	Sterimol/B1: 4.09156	Sterimol/B2: 4.20548	Sterimol/B3: 4.23314
Sterimol/B4: 5.04145	Sterimol/L: 18.8856

Surface and Volume Properties
Accessible surface: 632.026	Positive charged surface: 319.21	Negative charged surface: 312.816	Volume: 351.5
Hydrophobic surface: 466.19	Hydrophilic surface: 165.836

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: no related molecules available.