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MMsINC code: MMs02626842

Type: Neutral
Formula: C₁₅H₁₄N₂O₅S

SMILES:

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

InChI:

InChI=1/C15H14N2O5S/c18-14(19)10-16-23(21,22)13-8-6-12(7-9-13)17-15(20)11-4-2-1-3-5-11/h1-9,16H,10H2,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.4715 kcal/mol

Physical Properties
Molecular Weight: 334.352 g/mol	logS: -3.18869	SlogP: 1.3018	Reactive groups: 0

Topological Properties
Globularity: 0.0395883	Sterimol/B1: 3.08112	Sterimol/B2: 3.48201	Sterimol/B3: 4.23668
Sterimol/B4: 5.48655	Sterimol/L: 17.7529

Surface and Volume Properties
Accessible surface: 550.608	Positive charged surface: 279.257	Negative charged surface: 271.352	Volume: 284.875
Hydrophobic surface: 329.766	Hydrophilic surface: 220.842

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs02626843
PUBCHEM-ZINC00022062