MMsINC Database Search


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MMsINC code: MMs03729024

Type: Neutral
Formula: C₁₁H₁₄F₃NO₂S

SMILES:

S(=O)(=O)(N(CC)CC)c1ccccc1C(F)(F)F

InChI:

InChI=1/C11H14F3NO2S/c1-3-15(4-2)18(16,17)10-8-6-5-7-9(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)=30.6301 kcal/mol

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

Topological Properties
Globularity: 0.238919	Sterimol/B1: 2.45498	Sterimol/B2: 2.68383	Sterimol/B3: 5.29433
Sterimol/B4: 6.13485	Sterimol/L: 11.6008

Surface and Volume Properties
Accessible surface: 430.686	Positive charged surface: 213.278	Negative charged surface: 217.409	Volume: 231.5
Hydrophobic surface: 267.697	Hydrophilic surface: 162.989

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.