MMsINC Database Search


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MMsINC code: MMs01398741

Type: Neutral
Formula: C₁₁H₁₄F₃NO₂S

SMILES:

S(=O)(=O)(NCCCC)c1cc(ccc1)C(F)(F)F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.0168 kcal/mol

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

Topological Properties
Globularity: 0.106932	Sterimol/B1: 2.99843	Sterimol/B2: 3.71288	Sterimol/B3: 4.91107
Sterimol/B4: 6.07137	Sterimol/L: 13.0525

Surface and Volume Properties
Accessible surface: 478.996	Positive charged surface: 227.697	Negative charged surface: 251.299	Volume: 232
Hydrophobic surface: 270.528	Hydrophilic surface: 208.468

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.