MMsINC Database Search


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MMsINC code: MMs02367053

Type: Neutral
Formula: C₁₄H₁₆N₂O₄S₂

SMILES:

S(=O)(=O)(CCS(=O)(=O)c1ccc(N)cc1)c1ccc(N)cc1

InChI:

InChI=1/C14H16N2O4S2/c15-11-1-5-13(6-2-11)21(17,18)9-10-22(19,20)14-7-3-12(16)4-8-14/h1-8H,9-10,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0682 kcal/mol

Physical Properties
Molecular Weight: 340.424 g/mol	logS: -2.90236	SlogP: 1.0986	Reactive groups: 0

Topological Properties
Globularity: 0.0353162	Sterimol/B1: 2.42105	Sterimol/B2: 3.76124	Sterimol/B3: 3.87697
Sterimol/B4: 4.82635	Sterimol/L: 18.5759

Surface and Volume Properties
Accessible surface: 559.772	Positive charged surface: 293.016	Negative charged surface: 266.756	Volume: 286.375
Hydrophobic surface: 319.848	Hydrophilic surface: 239.924

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.