MMsINC Database Search


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

MMsINC code: MMs00745346

Type: Neutral
Formula: C₁₇H₁₉FO₄

SMILES:

Fc1ccccc1OCCCOc1c(OC)cccc1OC

InChI:

InChI=1/C17H19FO4/c1-19-15-9-5-10-16(20-2)17(15)22-12-6-11-21-14-8-4-3-7-13(14)18/h3-5,7-10H,6,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4504 kcal/mol

Physical Properties
Molecular Weight: 306.333 g/mol	logS: -3.87749	SlogP: 3.6908	Reactive groups: 0

Topological Properties
Globularity: 0.0579749	Sterimol/B1: 2.3519	Sterimol/B2: 3.83206	Sterimol/B3: 4.34743
Sterimol/B4: 9.50709	Sterimol/L: 17.027

Surface and Volume Properties
Accessible surface: 592.223	Positive charged surface: 416.23	Negative charged surface: 175.993	Volume: 292.875
Hydrophobic surface: 570.943	Hydrophilic surface: 21.28

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.