MMsINC Database Search


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MMsINC code: MMs02574837

Type: Neutral
Formula: C₂₂H₁₅FO₃

SMILES:

Fc1ccccc1COC1=C(Oc2c(cccc2)C1=O)c1ccccc1

InChI:

InChI=1/C22H15FO3/c23-18-12-6-4-10-16(18)14-25-22-20(24)17-11-5-7-13-19(17)26-21(22)15-8-2-1-3-9-15/h1-13H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.2822 kcal/mol

Physical Properties
Molecular Weight: 346.357 g/mol	logS: -6.69778	SlogP: 5.2528	Reactive groups: 1

Topological Properties
Globularity: 0.0905969	Sterimol/B1: 2.28844	Sterimol/B2: 3.63918	Sterimol/B3: 4.24026
Sterimol/B4: 8.66783	Sterimol/L: 16.2212

Surface and Volume Properties
Accessible surface: 583.601	Positive charged surface: 313.395	Negative charged surface: 270.207	Volume: 325
Hydrophobic surface: 547.226	Hydrophilic surface: 36.375

Pharmacophoric Properties
Hydrogen bond donors: 0	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.