MMsINC Database Search


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

MMsINC code: MMs01557349

Type: Neutral
Formula: C₂₂H₂₅FN₂O₄

SMILES:

Fc1ccc(cc1)CNC(=O)CN(C(=O)COC(=O)c1cc(C)c(cc1)C)CC

InChI:

InChI=1/C22H25FN2O4/c1-4-25(13-20(26)24-12-17-6-9-19(23)10-7-17)21(27)14-29-22(28)18-8-5-15(2)16(3)11-18/h5-11H,4,12-14H2,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0521 kcal/mol

Physical Properties
Molecular Weight: 400.45 g/mol	logS: -5.34369	SlogP: 3.03064	Reactive groups: 0

Topological Properties
Globularity: 0.0230462	Sterimol/B1: 2.25363	Sterimol/B2: 2.48736	Sterimol/B3: 4.3445
Sterimol/B4: 9.68329	Sterimol/L: 22.0143

Surface and Volume Properties
Accessible surface: 728.315	Positive charged surface: 431.275	Negative charged surface: 297.04	Volume: 386.125
Hydrophobic surface: 588.113	Hydrophilic surface: 140.202

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.