MMsINC Database Search


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MMsINC code: MMs02611192

Type: Neutral
Formula: C₂₀H₁₆F₃NO₂

SMILES:

FC(F)(F)c1cc(ccc1)COc1nc(ccc1)-c1ccc(OC)cc1

InChI:

InChI=1/C20H16F3NO2/c1-25-17-10-8-15(9-11-17)18-6-3-7-19(24-18)26-13-14-4-2-5-16(12-14)20(21,22)23/h2-12H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.2632 kcal/mol

Physical Properties
Molecular Weight: 359.347 g/mol	logS: -5.75839	SlogP: 5.9329	Reactive groups: 0

Topological Properties
Globularity: 0.0541269	Sterimol/B1: 2.5181	Sterimol/B2: 3.99501	Sterimol/B3: 4.41941
Sterimol/B4: 8.11641	Sterimol/L: 18.5843

Surface and Volume Properties
Accessible surface: 614.434	Positive charged surface: 308.689	Negative charged surface: 300.21	Volume: 322.25
Hydrophobic surface: 471.626	Hydrophilic surface: 142.808

Pharmacophoric Properties
Hydrogen bond donors: 0	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.