MMsINC Database Search


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

MMsINC code: MMs01657926

Type: Neutral
Formula: C₂₀H₂₄FNO₅

SMILES:

Fc1cc(OC)ccc1C(OCC(=O)c1cc(n(C(COC)C)c1C)C)=O

InChI:

InChI=1/C20H24FNO5/c1-12-8-17(14(3)22(12)13(2)10-25-4)19(23)11-27-20(24)16-7-6-15(26-5)9-18(16)21/h6-9,13H,10-11H2,1-5H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.7348 kcal/mol

Physical Properties
Molecular Weight: 377.412 g/mol	logS: -3.64508	SlogP: 3.59524	Reactive groups: 0

Topological Properties
Globularity: 0.0276345	Sterimol/B1: 2.32328	Sterimol/B2: 3.70583	Sterimol/B3: 4.53789
Sterimol/B4: 6.66114	Sterimol/L: 22.5652

Surface and Volume Properties
Accessible surface: 666.502	Positive charged surface: 454.427	Negative charged surface: 212.075	Volume: 359.5
Hydrophobic surface: 559.36	Hydrophilic surface: 107.142

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.