MMsINC Database Search


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MMsINC code: MMs01524922

Type: Neutral
Formula: C₁₉H₂₀F₃NO₃

SMILES:

FC(F)(F)c1cc(ccc1)CC(=O)NCCc1cc(OC)c(OC)cc1

InChI:

InChI=1/C19H20F3NO3/c1-25-16-7-6-13(11-17(16)26-2)8-9-23-18(24)12-14-4-3-5-15(10-14)19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.019 kcal/mol

Physical Properties
Molecular Weight: 367.367 g/mol	logS: -4.57916	SlogP: 3.93544	Reactive groups: 0

Topological Properties
Globularity: 0.0604655	Sterimol/B1: 2.2916	Sterimol/B2: 2.45798	Sterimol/B3: 4.97457
Sterimol/B4: 7.44063	Sterimol/L: 18.6379

Surface and Volume Properties
Accessible surface: 646.289	Positive charged surface: 404.523	Negative charged surface: 241.766	Volume: 330.875
Hydrophobic surface: 480.477	Hydrophilic surface: 165.812

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.