MMsINC Database Search


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MMsINC code: MMs00712326

Type: Neutral
Formula: C₁₄H₁₁FO₃

SMILES:

Fc1ccc(cc1)CC(=O)c1ccc(O)cc1O

InChI:

InChI=1/C14H11FO3/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)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)=65.1131 kcal/mol

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

Topological Properties
Globularity: 0.0766405	Sterimol/B1: 2.52335	Sterimol/B2: 3.22059	Sterimol/B3: 4.7926
Sterimol/B4: 4.79977	Sterimol/L: 15.1093

Surface and Volume Properties
Accessible surface: 452.105	Positive charged surface: 252.923	Negative charged surface: 199.182	Volume: 222.625
Hydrophobic surface: 336.199	Hydrophilic surface: 115.906

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.