Responsive image

Common name

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

IUPAC name

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

SMILES

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

Common name

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

IUPAC name

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

SMILES

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

INCHI

InChI=1S/C9H10FNO/c1-2-11-6-7-5-8(10)3-4-9(7)12/h3-7H,2H2,1H3/b11-6+

FORMULA

C9H10FNO

Responsive image

Common name

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

IUPAC name

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





Molecular weight

167.180

clogP

2.332

clogS

-1.645

Frequency

0.0003





HBond Acceptor

2

HBond Donor

0

Total Polar
Surface Area

29.43

Number of Rings

1

Rotatable Bond

2

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 0.52 -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 0.493827 -6.54 C1=CCC(=O)C=C1 7
1k03_ligand_frag_0.mol2 1k03 0.45977 -6.60 C(=O)C1=CCC(=O)C=C1 9
1ajp_ligand_frag_1.mol2 1ajp 0.444444 -6.45 C1C(=O)C=CC(=C1)O 8
3fc8_ligand_2_3.mol2 3fc8 0.442478 -6.67 C(=O)(NC)[C@H]1C=CC=C(C1=O)I 12
1nms_ligand_frag_7.mol2 1nms 0.428571 -6.26 C1=CCC(=O)C(=C1)C(=O)O 10
103 , 11