MMsINC Database Search


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MMsINC code: MMs03017303

Type: Neutral
Formula: C₁₃H₉FN₂O₅S₂

SMILES:

S1(=O)(=O)N(S(=O)(=O)c2c1cccc2)NC(=O)c1cc(F)ccc1

InChI:

InChI=1/C13H9FN2O5S2/c14-10-5-3-4-9(8-10)13(17)15-16-22(18,19)11-6-1-2-7-12(11)23(16,20)21/h1-8H,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.5735 kcal/mol

Physical Properties
Molecular Weight: 356.354 g/mol	logS: -4.14833	SlogP: 0.8637	Reactive groups: 0

Topological Properties
Globularity: 0.0717909	Sterimol/B1: 3.24993	Sterimol/B2: 3.65989	Sterimol/B3: 4.12448
Sterimol/B4: 4.63348	Sterimol/L: 16.4112

Surface and Volume Properties
Accessible surface: 515.54	Positive charged surface: 189.067	Negative charged surface: 326.473	Volume: 263.875
Hydrophobic surface: 353.934	Hydrophilic surface: 161.606

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.