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MMsINC code: MMs02504291

Type: Neutral
Formula: C₁₈H₂₃F₆N₃O₂

SMILES:

FC(F)(F)C(=O)NCCCCN(Cc1ccccc1)CCCNC(=O)C(F)(F)F

InChI:

InChI=1/C18H23F6N3O2/c19-17(20,21)15(28)25-9-4-5-11-27(13-14-7-2-1-3-8-14)12-6-10-26-16(29)18(22,23)24/h1-3,7-8H,4-6,9-13H2,(H,25,28)(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.808 kcal/mol

Physical Properties
Molecular Weight: 427.389 g/mol	logS: -4.37276	SlogP: 4.1221	Reactive groups: 0

Topological Properties
Globularity: 0.0430767	Sterimol/B1: 2.46776	Sterimol/B2: 3.05481	Sterimol/B3: 3.89486
Sterimol/B4: 9.04396	Sterimol/L: 21.0655

Surface and Volume Properties
Accessible surface: 677.206	Positive charged surface: 329.02	Negative charged surface: 348.187	Volume: 357.25
Hydrophobic surface: 343.309	Hydrophilic surface: 333.897

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02504292
NCID-ZINC05834343