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MMsINC code: MMs01843093

Type: Neutral
Formula: C₁₁H₁₀N₂O₄S

SMILES:

S1C(N(CC(O)=O)c2ccccc2)C(=O)NC1=O

InChI:

InChI=1/C11H10N2O4S/c14-8(15)6-13(7-4-2-1-3-5-7)10-9(16)12-11(17)18-10/h1-5,10H,6H2,(H,14,15)(H,12,16,17)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6773 kcal/mol

Physical Properties
Molecular Weight: 266.277 g/mol	logS: -2.94542	SlogP: 0.8867	Reactive groups: 0

Topological Properties
Globularity: 0.108133	Sterimol/B1: 3.55618	Sterimol/B2: 3.70638	Sterimol/B3: 3.84446
Sterimol/B4: 5.45259	Sterimol/L: 12.9269

Surface and Volume Properties
Accessible surface: 429.491	Positive charged surface: 205.648	Negative charged surface: 223.843	Volume: 222.375
Hydrophobic surface: 192.725	Hydrophilic surface: 236.766

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	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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Ions/Tautomers related molecules

MMs01843094
IBS-ZINC02360587