MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01688294

Type: Neutral
Formula: C₁₆H₁₄F₃NO₃S

SMILES:

S(=O)(=O)(CCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(cc1)C

InChI:

InChI=1/C16H14F3NO3S/c1-10-2-4-11(5-3-10)24(22,23)9-8-14(21)20-13-7-6-12(17)15(18)16(13)19/h2-7H,8-9H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.1976 kcal/mol

Physical Properties
Molecular Weight: 357.352 g/mol	logS: -4.76278	SlogP: 3.21482	Reactive groups: 0

Topological Properties
Globularity: 0.0471815	Sterimol/B1: 2.96876	Sterimol/B2: 3.41484	Sterimol/B3: 4.03887
Sterimol/B4: 6.15612	Sterimol/L: 18.346

Surface and Volume Properties
Accessible surface: 574.669	Positive charged surface: 277.21	Negative charged surface: 297.459	Volume: 290.75
Hydrophobic surface: 477.412	Hydrophilic surface: 97.257

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.