MMsINC Database Search


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MMsINC code: MMs03279167

Type: Neutral
Formula: C₁₁H₁₄F₃NO₂S

SMILES:

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

InChI:

InChI=1/C11H14F3NO2S/c1-3-15(4-2)18(16,17)10-7-5-6-9(8-10)11(12,13)14/h5-8H,3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.6047 kcal/mol

Physical Properties
Molecular Weight: 281.298 g/mol	logS: -3.00941	SlogP: 3.0474	Reactive groups: 0

Topological Properties
Globularity: 0.126713	Sterimol/B1: 2.42814	Sterimol/B2: 2.56921	Sterimol/B3: 5.19067
Sterimol/B4: 6.72675	Sterimol/L: 12.7831

Surface and Volume Properties
Accessible surface: 444.176	Positive charged surface: 205.788	Negative charged surface: 238.388	Volume: 232
Hydrophobic surface: 253.942	Hydrophilic surface: 190.234

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.