MMsINC Database Search


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MMsINC code: MMs02216774

Type: Neutral
Formula: C₁₁H₁₁FO₃

SMILES:

Fc1ccccc1C(=O)CC(OCC)=O

InChI:

InChI=1/C11H11FO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.9077 kcal/mol

Physical Properties
Molecular Weight: 210.204 g/mol	logS: -2.60207	SlogP: 1.9616	Reactive groups: 1

Topological Properties
Globularity: 0.0134437	Sterimol/B1: 2.37578	Sterimol/B2: 2.37634	Sterimol/B3: 3.43099
Sterimol/B4: 4.62959	Sterimol/L: 14.9911

Surface and Volume Properties
Accessible surface: 423.542	Positive charged surface: 253.766	Negative charged surface: 169.776	Volume: 193
Hydrophobic surface: 334.357	Hydrophilic surface: 89.185

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.