MMsINC Database Search


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MMsINC code: MMs02688769

Type: Neutral
Formula: C₁₈H₁₈F₃NO₂

SMILES:

FC(F)(F)C(=O)N(C(OC)c1ccccc1)CCc1ccccc1

InChI:

InChI=1/C18H18F3NO2/c1-24-16(15-10-6-3-7-11-15)22(17(23)18(19,20)21)13-12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.145 kcal/mol

Physical Properties
Molecular Weight: 337.341 g/mol	logS: -4.36075	SlogP: 4.48057	Reactive groups: 0

Topological Properties
Globularity: 0.185285	Sterimol/B1: 2.34738	Sterimol/B2: 3.23217	Sterimol/B3: 6.58519
Sterimol/B4: 6.78591	Sterimol/L: 14.9096

Surface and Volume Properties
Accessible surface: 546.513	Positive charged surface: 274.269	Negative charged surface: 272.243	Volume: 305.625
Hydrophobic surface: 432.309	Hydrophilic surface: 114.204

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.