MMsINC Database Search


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MMsINC code: MMs02362849

Type: Neutral
Formula: C₂₀H₂₇F₃N₂O

SMILES:

FC(F)(F)c1cc(NC(=O)N(C2CCCCC2)C2CCCCC2)ccc1

InChI:

InChI=1/C20H27F3N2O/c21-20(22,23)15-8-7-9-16(14-15)24-19(26)25(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h7-9,14,17-18H,1-6,10-13H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.3106 kcal/mol

Physical Properties
Molecular Weight: 368.443 g/mol	logS: -5.32103	SlogP: 6.5162	Reactive groups: 0

Topological Properties
Globularity: 0.118396	Sterimol/B1: 2.53516	Sterimol/B2: 3.60804	Sterimol/B3: 3.68621
Sterimol/B4: 9.9164	Sterimol/L: 15.3562

Surface and Volume Properties
Accessible surface: 594.954	Positive charged surface: 359.037	Negative charged surface: 235.917	Volume: 344.375
Hydrophobic surface: 487.595	Hydrophilic surface: 107.359

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.