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MMsINC code: MMs02267573

Type: Ionized
Formula: C₁₆H₁₅N₂O₅S-

SMILES:

S(=O)(=O)(NC(C(=O)[O-])C)c1ccc(NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C16H16N2O5S/c1-11(16(20)21)18-24(22,23)14-9-7-13(8-10-14)17-15(19)12-5-3-2-4-6-12/h2-11,18H,1H3,(H,17,19)(H,20,21)/p-1/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.7501 kcal/mol

Physical Properties
Molecular Weight: 347.371 g/mol	logS: -3.77635	SlogP: 0.3556	Reactive groups: 0

Topological Properties
Globularity: 0.0432258	Sterimol/B1: 3.58631	Sterimol/B2: 3.74577	Sterimol/B3: 3.96921
Sterimol/B4: 5.91191	Sterimol/L: 17.5598

Surface and Volume Properties
Accessible surface: 565.124	Positive charged surface: 269.317	Negative charged surface: 295.807	Volume: 305.75
Hydrophobic surface: 359.5	Hydrophilic surface: 205.624

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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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Parent related molecule:

MMs02267572
NCID-ZINC01618922