MMsINC Database Search


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MMsINC code: MMs02913806

Type: Neutral
Formula: C₁₆H₁₆N₂O₄S

SMILES:

S(=O)(=O)(NC(=O)C)c1ccc(NC(=O)Cc2ccccc2)cc1

InChI:

InChI=1/C16H16N2O4S/c1-12(19)18-23(21,22)15-9-7-14(8-10-15)17-16(20)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.453 kcal/mol

Physical Properties
Molecular Weight: 332.38 g/mol	logS: -3.84888	SlogP: 1.69257	Reactive groups: 0

Topological Properties
Globularity: 0.0668012	Sterimol/B1: 2.15629	Sterimol/B2: 3.99192	Sterimol/B3: 4.34498
Sterimol/B4: 5.7897	Sterimol/L: 17.9806

Surface and Volume Properties
Accessible surface: 566.872	Positive charged surface: 317.527	Negative charged surface: 249.345	Volume: 294.625
Hydrophobic surface: 419.346	Hydrophilic surface: 147.526

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.