MMsINC Database Search


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MMsINC code: MMs02991824

Type: Neutral
Formula: C₁₄H₁₆N₂O₄S₄

SMILES:

S(Sc1ccc(NS(=O)(=O)C)cc1)c1ccc(NS(=O)(=O)C)cc1

InChI:

InChI=1/C14H16N2O4S4/c1-23(17,18)15-11-3-7-13(8-4-11)21-22-14-9-5-12(6-10-14)16-24(2,19)20/h3-10,15-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.1733 kcal/mol

Physical Properties
Molecular Weight: 404.556 g/mol	logS: -5.0099	SlogP: 3.229	Reactive groups: 1

Topological Properties
Globularity: 0.0946298	Sterimol/B1: 2.5031	Sterimol/B2: 3.70309	Sterimol/B3: 4.30546
Sterimol/B4: 8.17872	Sterimol/L: 16.6195

Surface and Volume Properties
Accessible surface: 608.444	Positive charged surface: 276.163	Negative charged surface: 332.281	Volume: 327.25
Hydrophobic surface: 423.174	Hydrophilic surface: 185.27

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.