MMsINC Database Search


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MMsINC code: MMs00574605

Type: Neutral
Formula: C₂₀H₁₉F₃N₂O₂

SMILES:

FC(F)(F)c1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCC1

InChI:

InChI=1/C20H19F3N2O2/c21-20(22,23)16-10-4-2-8-14(16)18(26)24-17-11-5-3-9-15(17)19(27)25-12-6-1-7-13-25/h2-5,8-11H,1,6-7,12-13H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.513 kcal/mol

Physical Properties
Molecular Weight: 376.378 g/mol	logS: -5.20571	SlogP: 4.8953	Reactive groups: 0

Topological Properties
Globularity: 0.066194	Sterimol/B1: 2.47106	Sterimol/B2: 3.53929	Sterimol/B3: 4.03944
Sterimol/B4: 9.27623	Sterimol/L: 14.988

Surface and Volume Properties
Accessible surface: 585.005	Positive charged surface: 320.233	Negative charged surface: 264.772	Volume: 330.125
Hydrophobic surface: 459.114	Hydrophilic surface: 125.891

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.