MMsINC Database Search


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

MMsINC code: MMs01360014

Type: Neutral
Formula: C₂₃H₂₁FN₂O₄

SMILES:

Fc1ccccc1C(=O)NCC(OCC(=O)N(CC)c1c2c(ccc1)cccc2)=O

InChI:

InChI=1/C23H21FN2O4/c1-2-26(20-13-7-9-16-8-3-4-10-17(16)20)21(27)15-30-22(28)14-25-23(29)18-11-5-6-12-19(18)24/h3-13H,2,14-15H2,1H3,(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.942 kcal/mol

Physical Properties
Molecular Weight: 408.429 g/mol	logS: -6.32969	SlogP: 3.305	Reactive groups: 1

Topological Properties
Globularity: 0.0614601	Sterimol/B1: 2.561	Sterimol/B2: 4.76409	Sterimol/B3: 4.88604
Sterimol/B4: 6.85664	Sterimol/L: 20.9765

Surface and Volume Properties
Accessible surface: 684.814	Positive charged surface: 377.189	Negative charged surface: 299.065	Volume: 380.25
Hydrophobic surface: 552.942	Hydrophilic surface: 131.872

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.