MMsINC Database Search


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MMsINC code: MMs00748492

Type: Neutral
Formula: C₂₂H₁₅F₃O₃

SMILES:

FC(F)(F)C=1Oc2c(cc(CC)c(O)c2)C(=O)C=1c1cc2c(cc1)cccc2

InChI:

InChI=1/C22H15F3O3/c1-2-12-10-16-18(11-17(12)26)28-21(22(23,24)25)19(20(16)27)15-8-7-13-5-3-4-6-14(13)9-15/h3-11,26H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4379 kcal/mol

Physical Properties
Molecular Weight: 384.353 g/mol	logS: -7.83269	SlogP: 6.07637	Reactive groups: 1

Topological Properties
Globularity: 0.0540988	Sterimol/B1: 2.18117	Sterimol/B2: 2.92241	Sterimol/B3: 4.03087
Sterimol/B4: 7.45766	Sterimol/L: 17.3462

Surface and Volume Properties
Accessible surface: 589.648	Positive charged surface: 294.047	Negative charged surface: 287.185	Volume: 332.5
Hydrophobic surface: 411.406	Hydrophilic surface: 178.242

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.