MMsINC Database Search


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MMsINC code: MMs01516677

Type: Neutral
Formula: C₁₈H₁₆F₆N₂O₃S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)CC(=O)NCC(F)(F)F)c1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C18H16F6N2O3S/c19-17(20,21)12-25-16(27)11-26(10-13-5-2-1-3-6-13)30(28,29)15-8-4-7-14(9-15)18(22,23)24/h1-9H,10-12H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7138 kcal/mol

Physical Properties
Molecular Weight: 454.391 g/mol	logS: -5.37845	SlogP: 4.5726	Reactive groups: 0

Topological Properties
Globularity: 0.0904045	Sterimol/B1: 3.88096	Sterimol/B2: 3.98077	Sterimol/B3: 5.66791
Sterimol/B4: 6.86072	Sterimol/L: 15.7252

Surface and Volume Properties
Accessible surface: 615.65	Positive charged surface: 240.809	Negative charged surface: 374.841	Volume: 349.75
Hydrophobic surface: 336.238	Hydrophilic surface: 279.412

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.