MMsINC Database Search


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MMsINC code: MMs01415911

Type: Neutral
Formula: C₂₀H₁₉F₃N₂O₄

SMILES:

FC(F)(F)CNC(=O)COC(=O)c1ccccc1C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C20H19F3N2O4/c1-25(11-14-7-3-2-4-8-14)18(27)15-9-5-6-10-16(15)19(28)29-12-17(26)24-13-20(21,22)23/h2-10H,11-13H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.009 kcal/mol

Physical Properties
Molecular Weight: 408.376 g/mol	logS: -4.83021	SlogP: 3.4804	Reactive groups: 0

Topological Properties
Globularity: 0.0622198	Sterimol/B1: 2.67014	Sterimol/B2: 4.75556	Sterimol/B3: 6.40509
Sterimol/B4: 7.37505	Sterimol/L: 16.5038

Surface and Volume Properties
Accessible surface: 647.089	Positive charged surface: 368.135	Negative charged surface: 278.954	Volume: 356.375
Hydrophobic surface: 443.745	Hydrophilic surface: 203.344

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.