MMsINC Database Search


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

MMsINC code: MMs01538589

Type: Neutral
Formula: C₁₈H₁₂F₂O₅

SMILES:

FC(F)Oc1ccc(cc1)C(=O)COC(=O)c1oc2c(c1)cccc2

InChI:

InChI=1/C18H12F2O5/c19-18(20)24-13-7-5-11(6-8-13)14(21)10-23-17(22)16-9-12-3-1-2-4-15(12)25-16/h1-9,18H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.679 kcal/mol

Physical Properties
Molecular Weight: 346.285 g/mol	logS: -5.59836	SlogP: 4.4938	Reactive groups: 0

Topological Properties
Globularity: 0.00410666	Sterimol/B1: 2.63783	Sterimol/B2: 2.63828	Sterimol/B3: 3.95465
Sterimol/B4: 4.55138	Sterimol/L: 20.3736

Surface and Volume Properties
Accessible surface: 584.218	Positive charged surface: 288.48	Negative charged surface: 289.894	Volume: 292.625
Hydrophobic surface: 406.173	Hydrophilic surface: 178.045

Pharmacophoric Properties
Hydrogen bond donors: 0	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.