MMsINC Database Search


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

MMsINC code: MMs01473658

Type: Neutral
Formula: C₁₈H₁₆F₂O₆

SMILES:

FC(F)Oc1ccc(cc1)C(OCC(=O)c1ccc(OC)cc1OC)=O

InChI:

InChI=1/C18H16F2O6/c1-23-13-7-8-14(16(9-13)24-2)15(21)10-25-17(22)11-3-5-12(6-4-11)26-18(19)20/h3-9,18H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.901 kcal/mol

Physical Properties
Molecular Weight: 366.316 g/mol	logS: -4.10087	SlogP: 3.7648	Reactive groups: 0

Topological Properties
Globularity: 0.00697267	Sterimol/B1: 2.63838	Sterimol/B2: 2.63896	Sterimol/B3: 2.92424
Sterimol/B4: 7.72458	Sterimol/L: 20.1623

Surface and Volume Properties
Accessible surface: 616.154	Positive charged surface: 390.403	Negative charged surface: 225.752	Volume: 315.25
Hydrophobic surface: 446.12	Hydrophilic surface: 170.034

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.