MMsINC Database Search


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

MMsINC code: MMs01668409

Type: Neutral
Formula: C₁₉H₂₂FNO₅

SMILES:

Fc1cc(ccc1OC)C(OCC(=O)c1cc(n(CCOC)c1C)C)=O

InChI:

InChI=1/C19H22FNO5/c1-12-9-15(13(2)21(12)7-8-24-3)17(22)11-26-19(23)14-5-6-18(25-4)16(20)10-14/h5-6,9-10H,7-8,11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2442 kcal/mol

Physical Properties
Molecular Weight: 363.385 g/mol	logS: -3.31787	SlogP: 3.20514	Reactive groups: 0

Topological Properties
Globularity: 0.0227515	Sterimol/B1: 2.40649	Sterimol/B2: 3.34351	Sterimol/B3: 3.84738
Sterimol/B4: 7.17745	Sterimol/L: 22.1581

Surface and Volume Properties
Accessible surface: 653.892	Positive charged surface: 443.663	Negative charged surface: 210.23	Volume: 343.625
Hydrophobic surface: 561.367	Hydrophilic surface: 92.525

Pharmacophoric Properties
Hydrogen bond donors: 0	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.