MMsINC Database Search


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MMsINC code: MMs00884305

Type: Neutral
Formula: C₁₉H₁₁FO₄S

SMILES:

S(=O)(=O)(C1=Cc2c3c(ccc2OC1=O)cccc3)c1ccc(F)cc1

InChI:

InChI=1/C19H11FO4S/c20-13-6-8-14(9-7-13)25(22,23)18-11-16-15-4-2-1-3-12(15)5-10-17(16)24-19(18)21/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2984 kcal/mol

Physical Properties
Molecular Weight: 354.357 g/mol	logS: -6.94444	SlogP: 3.7127	Reactive groups: 0

Topological Properties
Globularity: 0.0827361	Sterimol/B1: 3.27722	Sterimol/B2: 3.51152	Sterimol/B3: 5.0093
Sterimol/B4: 6.4576	Sterimol/L: 15.4859

Surface and Volume Properties
Accessible surface: 537.441	Positive charged surface: 225.8	Negative charged surface: 300.57	Volume: 295.75
Hydrophobic surface: 439.522	Hydrophilic surface: 97.919

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.