MMsINC Database Search


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MMsINC code: MMs01762747

Type: Neutral
Formula: C₁₅H₁₃F₃N₂O₃S

SMILES:

S(=O)(=O)(NC(=O)Nc1ccccc1C(F)(F)F)c1ccc(cc1)C

InChI:

InChI=1/C15H13F3N2O3S/c1-10-6-8-11(9-7-10)24(22,23)20-14(21)19-13-5-3-2-4-12(13)15(16,17)18/h2-9H,1H3,(H2,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.7853 kcal/mol

Physical Properties
Molecular Weight: 358.34 g/mol	logS: -5.00561	SlogP: 3.83572	Reactive groups: 0

Topological Properties
Globularity: 0.0711563	Sterimol/B1: 2.63364	Sterimol/B2: 2.99222	Sterimol/B3: 4.99793
Sterimol/B4: 7.42336	Sterimol/L: 15.1568

Surface and Volume Properties
Accessible surface: 545.238	Positive charged surface: 230.996	Negative charged surface: 314.241	Volume: 284.625
Hydrophobic surface: 342.498	Hydrophilic surface: 202.74

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: no related molecules available.