MMsINC Database Search


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

MMsINC code: MMs01668534

Type: Neutral
Formula: C₂₁H₂₃FN₂O₅

SMILES:

Fc1cc(ccc1OC)C(OCC(=O)N(CC(=O)Nc1ccccc1CC)C)=O

InChI:

InChI=1/C21H23FN2O5/c1-4-14-7-5-6-8-17(14)23-19(25)12-24(2)20(26)13-29-21(27)15-9-10-18(28-3)16(22)11-15/h5-11H,4,12-13H2,1-3H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.03 kcal/mol

Physical Properties
Molecular Weight: 402.422 g/mol	logS: -4.85067	SlogP: 2.65057	Reactive groups: 0

Topological Properties
Globularity: 0.0656386	Sterimol/B1: 2.54978	Sterimol/B2: 3.65371	Sterimol/B3: 6.71434
Sterimol/B4: 7.34122	Sterimol/L: 20.6384

Surface and Volume Properties
Accessible surface: 703.342	Positive charged surface: 460.61	Negative charged surface: 242.732	Volume: 374.5
Hydrophobic surface: 573.724	Hydrophilic surface: 129.618

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.