MMsINC Database Search


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

MMsINC code: MMs02763333

Type: Neutral
Formula: C₁₇H₁₆F₂N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1ccc(F)cc1F)c1cc(ccc1)C(=O)C)C

InChI:

InChI=1/C17H16F2N2O4S/c1-11(22)12-4-3-5-14(8-12)21(26(2,24)25)10-17(23)20-16-7-6-13(18)9-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.954 kcal/mol

Physical Properties
Molecular Weight: 382.387 g/mol	logS: -4.1971	SlogP: 2.5721	Reactive groups: 0

Topological Properties
Globularity: 0.107787	Sterimol/B1: 2.36211	Sterimol/B2: 3.77968	Sterimol/B3: 4.32081
Sterimol/B4: 10.774	Sterimol/L: 14.7607

Surface and Volume Properties
Accessible surface: 588.129	Positive charged surface: 290.191	Negative charged surface: 297.938	Volume: 318.5
Hydrophobic surface: 462.894	Hydrophilic surface: 125.235

Pharmacophoric Properties
Hydrogen bond donors: 1	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.