MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01717807

Type: Neutral
Formula: C₁₉H₁₂F₂O₄S

SMILES:

S(Oc1ccc(cc1)C(=O)c1ccc(F)cc1)(=O)(=O)c1ccc(F)cc1

InChI:

InChI=1/C19H12F2O4S/c20-15-5-1-13(2-6-15)19(22)14-3-9-17(10-4-14)25-26(23,24)18-11-7-16(21)8-12-18/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.372 kcal/mol

Physical Properties
Molecular Weight: 374.363 g/mol	logS: -6.14498	SlogP: 3.9635	Reactive groups: 0

Topological Properties
Globularity: 0.0925506	Sterimol/B1: 2.96976	Sterimol/B2: 3.5656	Sterimol/B3: 4.71675
Sterimol/B4: 5.95536	Sterimol/L: 16.3924

Surface and Volume Properties
Accessible surface: 553.155	Positive charged surface: 234.827	Negative charged surface: 318.328	Volume: 307
Hydrophobic surface: 447.53	Hydrophilic surface: 105.625

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.