MMsINC Database Search


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MMsINC code: MMs02165952

Type: Neutral
Formula: C₁₇H₁₃F₃N₂O₂S

SMILES:

S(=O)(=O)(n1nccc1C(c1ccccc1)c1ccccc1)C(F)(F)F

InChI:

InChI=1/C17H13F3N2O2S/c18-17(19,20)25(23,24)22-15(11-12-21-22)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.893 kcal/mol

Physical Properties
Molecular Weight: 366.363 g/mol	logS: -4.67528	SlogP: 4.1809	Reactive groups: 0

Topological Properties
Globularity: 0.263569	Sterimol/B1: 3.47991	Sterimol/B2: 4.98459	Sterimol/B3: 5.1877
Sterimol/B4: 5.96224	Sterimol/L: 13.1149

Surface and Volume Properties
Accessible surface: 519.256	Positive charged surface: 243.099	Negative charged surface: 276.156	Volume: 297.625
Hydrophobic surface: 366.947	Hydrophilic surface: 152.309

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.