MMsINC Database Search


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MMsINC code: MMs01626530

Type: Neutral
Formula: C₁₂H₁₀N₂O₅S

SMILES:

S(=O)(=O)(Nc1ccncc1)c1cc(C(O)=O)c(O)cc1

InChI:

InChI=1/C12H10N2O5S/c15-11-2-1-9(7-10(11)12(16)17)20(18,19)14-8-3-5-13-6-4-8/h1-7,15H,(H,13,14)(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.9134 kcal/mol

Physical Properties
Molecular Weight: 294.287 g/mol	logS: -1.39603	SlogP: 1.2862	Reactive groups: 0

Topological Properties
Globularity: 0.184823	Sterimol/B1: 2.73823	Sterimol/B2: 3.43942	Sterimol/B3: 5.54019
Sterimol/B4: 5.56356	Sterimol/L: 13.1201

Surface and Volume Properties
Accessible surface: 465.299	Positive charged surface: 281.799	Negative charged surface: 183.5	Volume: 239
Hydrophobic surface: 233.58	Hydrophilic surface: 231.719

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs01626531
ENAMINE-ZINC05602735