MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01706432

Type: Neutral
Formula: C₁₇H₁₄F₃NO₃

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)NCc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C17H14F3NO3/c1-24-16(23)13-4-2-11(3-5-13)10-21-15(22)12-6-8-14(9-7-12)17(18,19)20/h2-9H,10H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8552 kcal/mol

Physical Properties
Molecular Weight: 337.297 g/mol	logS: -4.73719	SlogP: 3.9999	Reactive groups: 0

Topological Properties
Globularity: 0.0429179	Sterimol/B1: 3.02477	Sterimol/B2: 3.1251	Sterimol/B3: 4.3263
Sterimol/B4: 6.39142	Sterimol/L: 18.3733

Surface and Volume Properties
Accessible surface: 573.891	Positive charged surface: 293.862	Negative charged surface: 280.029	Volume: 290.875
Hydrophobic surface: 383.08	Hydrophilic surface: 190.811

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.