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MMsINC code: MMs02677045

Type: Neutral
Formula: C₁₅H₁₁FO₃

SMILES:

Fc1ccc(cc1C)C(=O)c1ccccc1C(O)=O

InChI:

InChI=1/C15H11FO3/c1-9-8-10(6-7-13(9)16)14(17)11-4-2-3-5-12(11)15(18)19/h2-8H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5175 kcal/mol

Physical Properties
Molecular Weight: 258.248 g/mol	logS: -3.88254	SlogP: 3.06332	Reactive groups: 0

Topological Properties
Globularity: 0.138631	Sterimol/B1: 3.47285	Sterimol/B2: 3.91612	Sterimol/B3: 4.74186
Sterimol/B4: 5.43239	Sterimol/L: 13.4963

Surface and Volume Properties
Accessible surface: 451.599	Positive charged surface: 236.405	Negative charged surface: 215.195	Volume: 234.5
Hydrophobic surface: 347.626	Hydrophilic surface: 103.973

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

MMs02677046
PUBCHEM-ZINC00405796