MMsINC Database Search


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MMsINC code: MMs00506047

Type: Neutral
Formula: C₂₀H₂₀F₃NO₂

SMILES:

FC(F)(F)c1cc(NC(=O)C2(CCCC2)c2ccc(OC)cc2)ccc1

InChI:

InChI=1/C20H20F3NO2/c1-26-17-9-7-14(8-10-17)19(11-2-3-12-19)18(25)24-16-6-4-5-15(13-16)20(21,22)23/h4-10,13H,2-3,11-12H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.738 kcal/mol

Physical Properties
Molecular Weight: 363.379 g/mol	logS: -5.85521	SlogP: 5.476	Reactive groups: 0

Topological Properties
Globularity: 0.134882	Sterimol/B1: 2.22905	Sterimol/B2: 3.73733	Sterimol/B3: 4.4969
Sterimol/B4: 10.3191	Sterimol/L: 14.9679

Surface and Volume Properties
Accessible surface: 590.567	Positive charged surface: 328.695	Negative charged surface: 261.872	Volume: 328.5
Hydrophobic surface: 455.878	Hydrophilic surface: 134.689

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.