Responsive image

Common name

4-fluoro-6-methylene-cyclohexa-2,4-dien-1-one

IUPAC name

4-fluoro-6-methylene-cyclohexa-2,4-dien-1-one

SMILES

FC1=CC(=C)C(=O)C=C1

Common name

4-fluoro-6-methylene-cyclohexa-2,4-dien-1-one

IUPAC name

4-fluoro-6-methylene-cyclohexa-2,4-dien-1-one

SMILES

FC1=CC(=C)C(=O)C=C1

INCHI

InChI=1S/C7H5FO/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H2

FORMULA

C7H5FO

Responsive image

Common name

4-fluoro-6-methylene-cyclohexa-2,4-dien-1-one

IUPAC name

4-fluoro-6-methylene-cyclohexa-2,4-dien-1-one





Molecular weight

124.112

clogP

1.958

clogS

-1.340

Frequency

0.0003





HBond Acceptor

1

HBond Donor

0

Total Polar
Surface Area

17.07

Number of Rings

1

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00699 Progabide Responsive image Antiparkinson Agents; Anticonvulsants; Antidepressive Agents; GABA Agonists; Antidyskinetics; Nervous System; Antiepileptics; Fatty Acid Derivatives; Indicated for the treatment of epilepsy.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2pog_ligand_frag_1.mol2 2pog 0.689655 -6.54 C1=CCC(=O)C=C1 7
1k03_ligand_frag_0.mol2 1k03 0.625 -6.60 C(=O)C1=CCC(=O)C=C1 9
1ajp_ligand_frag_1.mol2 1ajp 0.597015 -6.45 C1C(=O)C=CC(=C1)O 8
3fc8_ligand_frag_1.mol2 3fc8 0.56338 -6.43 C1=CCC(=O)C(=C1)I 8
1nms_ligand_frag_7.mol2 1nms 0.539474 -6.26 C1=CCC(=O)C(=C1)C(=O)O 10
1t48_ligand_frag_0.mol2 1t48 0.519481 -6.71 Br[C@H]1C(=O)C(=CC=C1)Br 9
102 , 11