MMsINC Database Search


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MMsINC code: MMs02544508

Type: Neutral
Formula: C₁₅H₉F₅O

SMILES:

FC(F)(C(F)(F)F)C1(O)c2c(-c3c1cccc3)cccc2

InChI:

InChI=1/C15H9F5O/c16-14(17,15(18,19)20)13(21)11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.032 kcal/mol

Physical Properties
Molecular Weight: 300.226 g/mol	logS: -5.49101	SlogP: 5.2518	Reactive groups: 0

Topological Properties
Globularity: 0.18882	Sterimol/B1: 2.84318	Sterimol/B2: 3.81263	Sterimol/B3: 4.13909
Sterimol/B4: 6.30936	Sterimol/L: 12.0187

Surface and Volume Properties
Accessible surface: 424.056	Positive charged surface: 167.992	Negative charged surface: 250.96	Volume: 232.875
Hydrophobic surface: 273.196	Hydrophilic surface: 150.86

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.