MMsINC Database Search


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MMsINC code: MMs00594265

Type: Neutral
Formula: C₁₆H₉F₃O₅

SMILES:

FC(F)(F)C=1Oc2c(ccc(O)c2O)C(=O)C=1Oc1ccccc1

InChI:

InChI=1/C16H9F3O5/c17-16(18,19)15-14(23-8-4-2-1-3-5-8)11(21)9-6-7-10(20)12(22)13(9)24-15/h1-7,20,22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.334 kcal/mol

Physical Properties
Molecular Weight: 338.237 g/mol	logS: -4.95842	SlogP: 3.9457	Reactive groups: 1

Topological Properties
Globularity: 0.0927178	Sterimol/B1: 2.92642	Sterimol/B2: 3.30436	Sterimol/B3: 4.64695
Sterimol/B4: 5.86443	Sterimol/L: 15.0679

Surface and Volume Properties
Accessible surface: 505.323	Positive charged surface: 235.062	Negative charged surface: 270.261	Volume: 262.125
Hydrophobic surface: 288.973	Hydrophilic surface: 216.35

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.