MMsINC Database Search


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MMsINC code: MMs00567867

Type: Neutral
Formula: C₂₁H₂₄F₂N₂O₂

SMILES:

FC(F)(C(=O)N(C(C)c1ccccc1)C)C(=O)N(C(C)c1ccccc1)C

InChI:

InChI=1/C21H24F2N2O2/c1-15(17-11-7-5-8-12-17)24(3)19(26)21(22,23)20(27)25(4)16(2)18-13-9-6-10-14-18/h5-16H,1-4H3/t15-,16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.62 kcal/mol

Physical Properties
Molecular Weight: 374.431 g/mol	logS: -4.61726	SlogP: 4.6718	Reactive groups: 0

Topological Properties
Globularity: 0.097047	Sterimol/B1: 2.28305	Sterimol/B2: 3.11597	Sterimol/B3: 5.81942
Sterimol/B4: 6.64629	Sterimol/L: 17.024

Surface and Volume Properties
Accessible surface: 627.67	Positive charged surface: 376.343	Negative charged surface: 251.328	Volume: 359
Hydrophobic surface: 516.952	Hydrophilic surface: 110.718

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.