MMsINC Database Search


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MMsINC code: MMs03425346

Type: Neutral
Formula: C₁₇H₁₂F₆N₂O₂

SMILES:

FC(F)(F)C(C(=O)Nc1ccccc1C(=O)Nc1ccccc1)C(F)(F)F

InChI:

InChI=1/C17H12F6N2O2/c18-16(19,20)13(17(21,22)23)15(27)25-12-9-5-4-8-11(12)14(26)24-10-6-2-1-3-7-10/h1-9,13H,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3931 kcal/mol

Physical Properties
Molecular Weight: 390.283 g/mol	logS: -5.47942	SlogP: 5.458	Reactive groups: 1

Topological Properties
Globularity: 0.0488851	Sterimol/B1: 2.93561	Sterimol/B2: 3.44668	Sterimol/B3: 3.67478
Sterimol/B4: 8.58577	Sterimol/L: 15.1399

Surface and Volume Properties
Accessible surface: 569.174	Positive charged surface: 229.104	Negative charged surface: 340.07	Volume: 300.375
Hydrophobic surface: 350.177	Hydrophilic surface: 218.997

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.