Responsive image

Common name

(6R)-4-fluoro-6-[(E)-methyliminomethyl]cyclohexa-2,4-dien-1-one

IUPAC name

(6R)-4-fluoro-6-[(E)-methyliminomethyl]cyclohexa-2,4-dien-1-one

SMILES

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

Common name

(6R)-4-fluoro-6-[(E)-methyliminomethyl]cyclohexa-2,4-dien-1-one

IUPAC name

(6R)-4-fluoro-6-[(E)-methyliminomethyl]cyclohexa-2,4-dien-1-one

SMILES

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

INCHI

InChI=1S/C8H8FNO/c1-10-5-6-4-7(9)2-3-8(6)11/h2-6H,1H3/b10-5+

FORMULA

C8H8FNO

Responsive image

Common name

(6R)-4-fluoro-6-[(E)-methyliminomethyl]cyclohexa-2,4-dien-1-one

IUPAC name

(6R)-4-fluoro-6-[(E)-methyliminomethyl]cyclohexa-2,4-dien-1-one





Molecular weight

153.154

clogP

1.990

clogS

-1.232

Frequency

0.0003





HBond Acceptor

2

HBond Donor

0

Total Polar
Surface Area

29.43

Number of Rings

1

Rotatable Bond

1

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
2yke_ligand_1_0.mol2 2yke 0.542553 -8.21 N(=C\1/[C@@H]2C=CC=CC2=C2[C@@H]1C=CC=C2)/C=O 16
2pog_ligand_frag_1.mol2 2pog 0.540541 -6.54 C1=CCC(=O)C=C1 7
1k03_ligand_frag_0.mol2 1k03 0.5 -6.60 C(=O)C1=CCC(=O)C=C1 9
1ajp_ligand_frag_1.mol2 1ajp 0.481928 -6.45 C1C(=O)C=CC(=C1)O 8
1nms_ligand_frag_7.mol2 1nms 0.461538 -6.26 C1=CCC(=O)C(=C1)C(=O)O 10
3fc8_ligand_frag_1.mol2 3fc8 0.45977 -6.43 C1=CCC(=O)C(=C1)I 8
102 , 11