MMsINC Database Search


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MMsINC code: MMs00099204

Type: Neutral
Formula: C₁₆H₁₆N₂O₄S

SMILES:

S(=O)(=O)(NC(=O)CC)c1ccc(NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C16H16N2O4S/c1-2-15(19)18-23(21,22)14-10-8-13(9-11-14)17-16(20)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.699 kcal/mol

Physical Properties
Molecular Weight: 332.38 g/mol	logS: -3.98918	SlogP: 2.1538	Reactive groups: 0

Topological Properties
Globularity: 0.0438152	Sterimol/B1: 2.0909	Sterimol/B2: 3.03232	Sterimol/B3: 4.20555
Sterimol/B4: 7.581	Sterimol/L: 17.3707

Surface and Volume Properties
Accessible surface: 573.201	Positive charged surface: 307.777	Negative charged surface: 265.423	Volume: 296
Hydrophobic surface: 411.557	Hydrophilic surface: 161.644

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.