MMsINC Database Search


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MMsINC code: MMs03562283

Type: Neutral
Formula: C₁₁H₁₄F₃NO₅S

SMILES:

S(=O)(=O)(N(CC(O)CO)C)c1ccccc1OC(F)(F)F

InChI:

InChI=1/C11H14F3NO5S/c1-15(6-8(17)7-16)21(18,19)10-5-3-2-4-9(10)20-11(12,13)14/h2-5,8,16-17H,6-7H2,1H3/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9451 kcal/mol

Physical Properties
Molecular Weight: 329.295 g/mol	logS: -2.08269	SlogP: 0.9788	Reactive groups: 0

Topological Properties
Globularity: 0.0944919	Sterimol/B1: 2.91334	Sterimol/B2: 3.40644	Sterimol/B3: 4.06054
Sterimol/B4: 7.37511	Sterimol/L: 13.6814

Surface and Volume Properties
Accessible surface: 478.621	Positive charged surface: 251.928	Negative charged surface: 226.694	Volume: 250.875
Hydrophobic surface: 252.953	Hydrophilic surface: 225.668

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.