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MMsINC code: MMs03144144

Type: Neutral
Formula: C₁₆H₁₃FO₃

SMILES:

Fc1ccc(cc1)C(=O)\C=C(\O)/c1ccc(cc1O)C

InChI:

InChI=1/C16H13FO3/c1-10-2-7-13(15(19)8-10)16(20)9-14(18)11-3-5-12(17)6-4-11/h2-9,19-20H,1H3/b16-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.0916 kcal/mol

Physical Properties
Molecular Weight: 272.275 g/mol	logS: -4.04454	SlogP: 3.62152	Reactive groups: 1

Topological Properties
Globularity: 0.00688878	Sterimol/B1: 2.24296	Sterimol/B2: 2.48651	Sterimol/B3: 3.02887
Sterimol/B4: 5.83318	Sterimol/L: 15.9681

Surface and Volume Properties
Accessible surface: 489.778	Positive charged surface: 258.222	Negative charged surface: 231.556	Volume: 250.375
Hydrophobic surface: 394.943	Hydrophilic surface: 94.835

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03144145 PUBCHEM-ZINC04637990	MMs03144146 PUBCHEM-ZINC04637990	MMs03144148 PUBCHEM-ZINC04637990
MMs03144147 PUBCHEM-ZINC04637990