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MMsINC code: MMs03617655

Type: Neutral
Formula: C₁₂H₁₀N₂O₆S

SMILES:

S(=O)(=O)(N1C=C(C)C(=O)NC1=O)c1ccccc1C(O)=O

InChI:

InChI=1/C12H10N2O6S/c1-7-6-14(12(18)13-10(7)15)21(19,20)9-5-3-2-4-8(9)11(16)17/h2-6H,1H3,(H,16,17)(H,13,15,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.2641 kcal/mol

Physical Properties
Molecular Weight: 310.286 g/mol	logS: -2.34036	SlogP: 0.5291	Reactive groups: 0

Topological Properties
Globularity: 0.155712	Sterimol/B1: 2.3574	Sterimol/B2: 3.46245	Sterimol/B3: 5.53057
Sterimol/B4: 5.99541	Sterimol/L: 12.8523

Surface and Volume Properties
Accessible surface: 468.679	Positive charged surface: 245.453	Negative charged surface: 223.226	Volume: 241
Hydrophobic surface: 241.462	Hydrophilic surface: 227.217

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	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

MMs03617656
PUBCHEM-ZINC06218755