MMsINC Database Search


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

MMsINC code: MMs02135921

Type: Neutral
Formula: C₁₂H₁₀F₃NO₃S₂

SMILES:

S1CC(=O)N=C1CS(=O)(=O)Cc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C12H10F3NO3S2/c13-12(14,15)9-3-1-2-8(4-9)6-21(18,19)7-11-16-10(17)5-20-11/h1-4H,5-7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8201 kcal/mol

Physical Properties
Molecular Weight: 337.342 g/mol	logS: -4.53627	SlogP: 2.87	Reactive groups: 0

Topological Properties
Globularity: 0.0887212	Sterimol/B1: 2.56885	Sterimol/B2: 3.0081	Sterimol/B3: 4.6755
Sterimol/B4: 5.85587	Sterimol/L: 15.476

Surface and Volume Properties
Accessible surface: 509.533	Positive charged surface: 215.601	Negative charged surface: 293.931	Volume: 251.875
Hydrophobic surface: 245.182	Hydrophilic surface: 264.351

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.