MMsINC Database Search


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MMsINC code: MMs01723074

Type: Neutral
Formula: C₁₁H₁₄F₃NO₂S

SMILES:

S(=O)(=O)(NCCCC)c1ccccc1C(F)(F)F

InChI:

InChI=1/C11H14F3NO2S/c1-2-3-8-15-18(16,17)10-7-5-4-6-9(10)11(12,13)14/h4-7,15H,2-3,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.3209 kcal/mol

Physical Properties
Molecular Weight: 281.298 g/mol	logS: -3.32361	SlogP: 3.0953	Reactive groups: 0

Topological Properties
Globularity: 0.157559	Sterimol/B1: 2.86985	Sterimol/B2: 4.15452	Sterimol/B3: 4.71058
Sterimol/B4: 5.39114	Sterimol/L: 12.9069

Surface and Volume Properties
Accessible surface: 455.463	Positive charged surface: 233.666	Negative charged surface: 221.796	Volume: 230.75
Hydrophobic surface: 290.764	Hydrophilic surface: 164.699

Pharmacophoric Properties
Hydrogen bond donors: 1	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.