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MMsINC code: MMs02659321

Type: Neutral
Formula: C₁₅H₁₄N₂O₆S

SMILES:

S(=O)(=O)(Nc1ccccc1C(O)=O)c1ccc(NC(OC)=O)cc1

InChI:

InChI=1/C15H14N2O6S/c1-23-15(20)16-10-6-8-11(9-7-10)24(21,22)17-13-5-3-2-4-12(13)14(18)19/h2-9,17H,1H3,(H,16,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.4418 kcal/mol

Physical Properties
Molecular Weight: 350.351 g/mol	logS: -3.29503	SlogP: 2.3639	Reactive groups: 0

Topological Properties
Globularity: 0.166326	Sterimol/B1: 4.19022	Sterimol/B2: 4.43152	Sterimol/B3: 5.22784
Sterimol/B4: 6.18855	Sterimol/L: 14.814

Surface and Volume Properties
Accessible surface: 552.097	Positive charged surface: 327.341	Negative charged surface: 224.756	Volume: 291.75
Hydrophobic surface: 332.523	Hydrophilic surface: 219.574

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

MMs02659322
PUBCHEM-ZINC00341333