MMsINC Database Search


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

MMsINC code: MMs01292598

Type: Neutral
Formula: C₁₅H₁₀F₆N₂O₃S

SMILES:

S(=O)(=O)(Nc1cc(ccc1)C(F)(F)F)c1ccc(NC(=O)C(F)(F)F)cc1

InChI:

InChI=1/C15H10F6N2O3S/c16-14(17,18)9-2-1-3-11(8-9)23-27(25,26)12-6-4-10(5-7-12)22-13(24)15(19,20)21/h1-8,23H,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.8157 kcal/mol

Physical Properties
Molecular Weight: 412.31 g/mol	logS: -5.38835	SlogP: 4.7384	Reactive groups: 0

Topological Properties
Globularity: 0.169038	Sterimol/B1: 2.54997	Sterimol/B2: 4.62194	Sterimol/B3: 5.69787
Sterimol/B4: 6.52745	Sterimol/L: 14.2384

Surface and Volume Properties
Accessible surface: 560.975	Positive charged surface: 183.126	Negative charged surface: 377.849	Volume: 292.75
Hydrophobic surface: 221.102	Hydrophilic surface: 339.873

Pharmacophoric Properties
Hydrogen bond donors: 2	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.