▶
Drug fragments
132
◀
ADME flags
H-bond donor
115
H-bond acceptor O
110
6-membered aromatic
Benzene
95
Kinase pharmacophores
Gatekeeper aromatic
95
Carbonyls
Carbonyl
82
ADME flags
H-bond acceptor N
76
PAINS / toxic alerts
Metal chelator
73
Hydroxy & Ether
Ether
57
Amines & N-groups
Secondary amine
57
ADME flags
Ionizable base
53
P-gp efflux flag
46
Amines & N-groups
Tertiary amine
46
Carbonyls
Amide
44
Hydroxy & Ether
Alcohol
40
Kinase pharmacophores
Hinge binder (NH-C=O)
33
Hinge binder (C=O-NH)
33
Hydroxy & Ether
Aryl ether
32
Unsaturated C
Alkene
28
Amines & N-groups
Primary amine
27
Carbonyls
Carboxylic acid
26
Halogens
Chlorine
24
Carbonyls
Lactam
22
Peptide mimetics
Retro-amide
20
Halogens
Fluorine
19
Carbonyls
Ketone
19
Peptide mimetics
N-Methyl amide
17
Hydroxy & Ether
Phenol
16
Unsaturated C
Enone
15
Carbonyls
Ester
15
PAINS / toxic alerts
Michael acceptor (extended)
15
Kinase pharmacophores
ATP mimic pyrimidine
14
Carbocycles
Cyclohexane
14
6-membered aromatic
Pyrimidine
14
Carbocycles
Cyclopentane
13
ADME flags
Lipinski HMW fragment
13
Peptide mimetics
β-Turn mimetic
12
6-membered aromatic
Pyridine
12
Peptide mimetics
Peptide backbone
11
Natural product motifs
Catechol
10
α-Amino acid
9
Hydroxy & Ether
Acetal
8
Amines & N-groups
Imine
8
Hydroxy & Ether
Enol ether
7
Saturated N rings
Pipecolinyl ring
7
Natural product motifs
Polyol
7
Pyranose sugar
7
Sulfur
Sulfonamide
7
Peptide mimetics
Sulfonamide bioisostere
7
Saturated O/S rings
Tetrahydropyran
7
Peptide mimetics
Proline-like ring
6
Saturated O/S rings
Tetrahydrofuran
6
Amines & N-groups
Amidine
5
Reactive warheads
Aza-Michael acceptor
5
Natural product motifs
Nucleoside sugar
5
P & B
Phosphate
5
Benzo-fused
Quinoline
5
Halogens
Trifluoromethyl
5
Carbonyls
Urea
5
Reactive warheads
Acrylamide
4
Carbocycles
Cyclopropane
4
Decalin
4
Carbonyls
Imide
4
Reactive warheads
Michael acceptor
4
6-membered aromatic
Pyrazine
4
5-membered: N
Pyrrole
4
Sulfur
Sulfide
4
Benzo-fused
Benzimidazole
3
Reactive warheads
β-Lactam
3
Natural product motifs
Biphenyl
3
Carbocycles
Cyclobutane
3
Unsaturated C
Dienophile
3
5-membered: O/S
Furan
3
Amines & N-groups
Guanidine
3
Natural product motifs
Hydroquinone
3
5-membered: N
Imidazole
3
Benzo-fused
Indole
3
Isoindole
3
Carbonyls
Lactone
3
Benzo-fused
Naphthalene
3
P & B
Phosphonate
3
Saturated N rings
Piperidine
3
Natural product motifs
Resorcinol
3
Sulfur
Sulfinyl
3
Sulfoxide
3
5-membered: O/S
Thiophene
3
Unsaturated C
Alkyne
2
Halogens
α-Haloketone
2
Benzo-fused
Chromane
2
Chromene
2
Saturated N rings
Dihydropyridine
2
Saturated O/S rings
Dioxolane
2
Purines
Hypoxanthine
2
Halogens
Iodine
2
Amines & N-groups
Nitro
2
PAINS / toxic alerts
Nitroaromatic
2
Natural product motifs
Stilbene
2
Unsaturated C
Vinyl
2
Carbonyls
Aldehyde
1
Reactive warheads
Aldehyde warhead
1
Benzo-fused
Benzodioxane
1
Benzofuran
1
Benzothiophene
1
P & B
Boronic acid
1
Reactive warheads
Boronic acid warhead
1
Benzo-fused
Carbazole
1
Natural product motifs
Chalcone
1
Benzo-fused
Coumarin
1
Carbocycles
Cycloheptane
1
Halogens
Difluoromethyl
1
Reactive warheads
Fluoroacetamide
1
Hydroxy & Ether
Hemiacetal
1
Saturated N rings
Hexahydropyrimidine
1
Imidazolidine
1
Benzo-fused
Indoline
1
5-membered: O/S
Isoxazole
1
Amines & N-groups
Nitrile
1
5-membered: O/S
1,2,4-Oxadiazole
1
PAINS / toxic alerts
PAINS — catechol
1
Halogens
Perfluoroalkyl
1
P & B
Phosphoramide
1
Saturated N rings
Piperazine
1
Pyrrolidine
1
Benzo-fused
Quinazoline
1
Quinoxaline
1
Natural product motifs
Salicylate
1
Saturated N rings
Tetrahydropyrimidine
1
6-membered aromatic
Thiazine
1
5-membered: O/S
Thiazole
1
Carbonyls
Thioester
1
Sulfur
Thiol
1
Purines
Uracil
1
Reactive warheads
Vinyl sulfone
1
Drug Fragment Browser
Select a fragment on the left to search your compound library for structures containing it, and see which approved drugs also share that fragment.