MMsINC Database Search


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MMsINC code: MMs00732059

Type: Neutral
Formula: C₂₀H₁₆F₃NO₂

SMILES:

FC(F)(F)c1ccccc1-c1oc(cc1)C(=O)NCCc1ccccc1

InChI:

InChI=1/C20H16F3NO2/c21-20(22,23)16-9-5-4-8-15(16)17-10-11-18(26-17)19(25)24-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8101 kcal/mol

Physical Properties
Molecular Weight: 359.347 g/mol	logS: -6.56368	SlogP: 5.24937	Reactive groups: 0

Topological Properties
Globularity: 0.0553448	Sterimol/B1: 3.54394	Sterimol/B2: 4.01374	Sterimol/B3: 4.07777
Sterimol/B4: 5.69472	Sterimol/L: 18.6701

Surface and Volume Properties
Accessible surface: 606.893	Positive charged surface: 304.582	Negative charged surface: 302.311	Volume: 321.5
Hydrophobic surface: 479.928	Hydrophilic surface: 126.965

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