MMsINC Database Search


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MMsINC code: MMs00604685

Type: Neutral
Formula: C₁₄H₁₁FO₃

SMILES:

Fc1ccccc1CC(=O)c1ccc(O)cc1O

InChI:

InChI=1/C14H11FO3/c15-12-4-2-1-3-9(12)7-13(17)11-6-5-10(16)8-14(11)18/h1-6,8,16,18H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6773 kcal/mol

Physical Properties
Molecular Weight: 246.237 g/mol	logS: -3.09024	SlogP: 2.66227	Reactive groups: 0

Topological Properties
Globularity: 0.0811013	Sterimol/B1: 2.4782	Sterimol/B2: 3.8392	Sterimol/B3: 4.20676
Sterimol/B4: 4.99571	Sterimol/L: 14.8369

Surface and Volume Properties
Accessible surface: 448.752	Positive charged surface: 249.37	Negative charged surface: 199.382	Volume: 223
Hydrophobic surface: 336.488	Hydrophilic surface: 112.264

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.