MMsINC Database Search


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

MMsINC code: MMs03954928

Type: Neutral
Formula: C₂₄H₂₃FN₂O₃

SMILES:

Fc1ccc(cc1)CNC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C24H23FN2O3/c25-20-8-6-18(7-9-20)16-26-23(28)14-15-24(29)27-21-10-12-22(13-11-21)30-17-19-4-2-1-3-5-19/h1-13H,14-17H2,(H,26,28)(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6549 kcal/mol

Physical Properties
Molecular Weight: 406.457 g/mol	logS: -5.40454	SlogP: 4.9726	Reactive groups: 0

Topological Properties
Globularity: 0.0230993	Sterimol/B1: 2.9202	Sterimol/B2: 3.46796	Sterimol/B3: 3.83529
Sterimol/B4: 6.09077	Sterimol/L: 24.8527

Surface and Volume Properties
Accessible surface: 747.423	Positive charged surface: 440.925	Negative charged surface: 306.497	Volume: 392.75
Hydrophobic surface: 641.741	Hydrophilic surface: 105.682

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.