MMsINC Database Search


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MMsINC code: MMs00184456

Type: Neutral
Formula: C₁₈H₁₅F₆NO₂

SMILES:

FC(F)(F)C(O)(C(F)(F)F)c1ccc(N(C(=O)c2ccc(cc2)C)C)cc1

InChI:

InChI=1/C18H15F6NO2/c1-11-3-5-12(6-4-11)15(26)25(2)14-9-7-13(8-10-14)16(27,17(19,20)21)18(22,23)24/h3-10,27H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=175.304 kcal/mol

Physical Properties
Molecular Weight: 391.311 g/mol	logS: -5.6598	SlogP: 5.73512	Reactive groups: 0

Topological Properties
Globularity: 0.0359206	Sterimol/B1: 3.70306	Sterimol/B2: 3.71348	Sterimol/B3: 4.05711
Sterimol/B4: 4.23795	Sterimol/L: 17.4769

Surface and Volume Properties
Accessible surface: 561.096	Positive charged surface: 244.089	Negative charged surface: 317.007	Volume: 308.875
Hydrophobic surface: 340.21	Hydrophilic surface: 220.886

Pharmacophoric Properties
Hydrogen bond donors: 1	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.