MMsINC Database Search


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MMsINC code: MMs01370867

Type: Neutral
Formula: C₁₆H₁₆F₂N₂O₄S

SMILES:

S(=O)(=O)(C)c1ccc(NCC(=O)Nc2ccccc2OC(F)F)cc1

InChI:

InChI=1/C16H16F2N2O4S/c1-25(22,23)12-8-6-11(7-9-12)19-10-15(21)20-13-4-2-3-5-14(13)24-16(17)18/h2-9,16,19H,10H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.606 kcal/mol

Physical Properties
Molecular Weight: 370.376 g/mol	logS: -3.45271	SlogP: 3.162	Reactive groups: 0

Topological Properties
Globularity: 0.0245441	Sterimol/B1: 2.32708	Sterimol/B2: 4.16093	Sterimol/B3: 4.45669
Sterimol/B4: 5.82814	Sterimol/L: 18.4816

Surface and Volume Properties
Accessible surface: 595.826	Positive charged surface: 314.021	Negative charged surface: 281.805	Volume: 308.5
Hydrophobic surface: 385.759	Hydrophilic surface: 210.067

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.