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MMsINC code: MMs03801785

Type: Neutral
Formula: C₁₃H₁₂N₂O₃S₂

SMILES:

S(=O)(=O)(N)c1ccc(NC(=O)c2ccccc2S)cc1

InChI:

InChI=1/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.033 kcal/mol

Physical Properties
Molecular Weight: 308.382 g/mol	logS: -4.59946	SlogP: 1.875	Reactive groups: 0

Topological Properties
Globularity: 0.0246008	Sterimol/B1: 2.475	Sterimol/B2: 2.6546	Sterimol/B3: 3.5955
Sterimol/B4: 6.36281	Sterimol/L: 16.4016

Surface and Volume Properties
Accessible surface: 504.496	Positive charged surface: 249.552	Negative charged surface: 254.944	Volume: 256.875
Hydrophobic surface: 303.732	Hydrophilic surface: 200.764

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs03801786
PUBCHEM-ZINC06567820