MMsINC Database Search


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MMsINC code: MMs01978966

Type: Neutral
Formula: C₁₄H₁₁FO₄

SMILES:

Fc1ccccc1OCC(=O)c1ccc(O)cc1O

InChI:

InChI=1/C14H11FO4/c15-11-3-1-2-4-14(11)19-8-13(18)10-6-5-9(16)7-12(10)17/h1-7,16-17H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.8144 kcal/mol

Physical Properties
Molecular Weight: 262.236 g/mol	logS: -3.10559	SlogP: 2.4986	Reactive groups: 0

Topological Properties
Globularity: 0.00665201	Sterimol/B1: 2.332	Sterimol/B2: 2.41491	Sterimol/B3: 2.59785
Sterimol/B4: 5.86414	Sterimol/L: 15.3412

Surface and Volume Properties
Accessible surface: 474.786	Positive charged surface: 258.156	Negative charged surface: 216.63	Volume: 230.75
Hydrophobic surface: 342.244	Hydrophilic surface: 132.542

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.