MMsINC Database Search


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MMsINC code: MMs01630908

Type: Neutral
Formula: C₁₄H₁₆N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1cc(S(=O)(=O)N(C)C)ccc1)c1ccccc1

InChI:

InChI=1/C14H16N2O4S2/c1-16(2)22(19,20)14-10-6-7-12(11-14)15-21(17,18)13-8-4-3-5-9-13/h3-11,15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.721 kcal/mol

Physical Properties
Molecular Weight: 340.424 g/mol	logS: -2.96028	SlogP: 1.7377	Reactive groups: 0

Topological Properties
Globularity: 0.175157	Sterimol/B1: 2.54036	Sterimol/B2: 4.03911	Sterimol/B3: 5.07667
Sterimol/B4: 6.77907	Sterimol/L: 13.9233

Surface and Volume Properties
Accessible surface: 542.348	Positive charged surface: 312.65	Negative charged surface: 229.697	Volume: 289
Hydrophobic surface: 405.047	Hydrophilic surface: 137.301

Pharmacophoric Properties
Hydrogen bond donors: 1	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.