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MMsINC code: MMs03195443

Type: Neutral
Formula: C₁₆H₁₃FO₃

SMILES:

Fc1ccccc1COc1ccc(cc1)\C=C\C(O)=O

InChI:

InChI=1/C16H13FO3/c17-15-4-2-1-3-13(15)11-20-14-8-5-12(6-9-14)7-10-16(18)19/h1-10H,11H2,(H,18,19)/b10-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.8629 kcal/mol

Physical Properties
Molecular Weight: 272.275 g/mol	logS: -3.97336	SlogP: 3.7689	Reactive groups: 0

Topological Properties
Globularity: 0.00251651	Sterimol/B1: 2.37268	Sterimol/B2: 2.37742	Sterimol/B3: 3.19974
Sterimol/B4: 5.3125	Sterimol/L: 18.0623

Surface and Volume Properties
Accessible surface: 514.488	Positive charged surface: 257.97	Negative charged surface: 256.517	Volume: 255.625
Hydrophobic surface: 405.927	Hydrophilic surface: 108.561

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

MMs03195444
PUBCHEM-ZINC05061638