MMsINC Database Search


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

MMsINC code: MMs01705384

Type: Neutral
Formula: C₂₃H₁₈F₃NO₃

SMILES:

FC(F)(F)c1cc(ccc1)CNC(=O)COc1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C23H18F3NO3/c24-23(25,26)19-8-4-5-16(13-19)14-27-21(28)15-30-20-11-9-18(10-12-20)22(29)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.191 kcal/mol

Physical Properties
Molecular Weight: 413.395 g/mol	logS: -6.50509	SlogP: 5.2095	Reactive groups: 0

Topological Properties
Globularity: 0.0423784	Sterimol/B1: 2.50835	Sterimol/B2: 3.90887	Sterimol/B3: 4.45558
Sterimol/B4: 8.58218	Sterimol/L: 19.7738

Surface and Volume Properties
Accessible surface: 690.888	Positive charged surface: 336.648	Negative charged surface: 354.24	Volume: 366
Hydrophobic surface: 485.588	Hydrophilic surface: 205.3

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.