MMsINC Database Search


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MMsINC code: MMs01442920

Type: Neutral
Formula: C₂₀H₁₄F₂O₅

SMILES:

FC(F)Oc1ccc(cc1)C(=O)COC(=O)c1ccc2c(cccc2)c1O

InChI:

InChI=1/C20H14F2O5/c21-20(22)27-14-8-5-13(6-9-14)17(23)11-26-19(25)16-10-7-12-3-1-2-4-15(12)18(16)24/h1-10,20,24H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.191 kcal/mol

Physical Properties
Molecular Weight: 372.323 g/mol	logS: -5.51604	SlogP: 4.6064	Reactive groups: 0

Topological Properties
Globularity: 0.00426232	Sterimol/B1: 2.62483	Sterimol/B2: 2.65058	Sterimol/B3: 4.15384
Sterimol/B4: 4.3968	Sterimol/L: 20.7439

Surface and Volume Properties
Accessible surface: 611.009	Positive charged surface: 307.019	Negative charged surface: 292.919	Volume: 319
Hydrophobic surface: 417.113	Hydrophilic surface: 193.896

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.