chempirical
Tools
Molecules
Reactions
Blog
Search compounds, tools…
Ctrl
K
Sign in
Compound database
Compounds similar to this structure
H
2
O
H
2
O
H
2
O
F
Fe
F
F
O.O.O.F[Fe](F)F
Edit in Covalent
2 compounds score at least 30 % on Tanimoto similarity of circular fingerprints, most similar first.
Search
Aryl halide
10,595
Ether
8,670
Carboxylic acid
7,813
Primary amine
6,333
Alcohol
6,121
Ester
5,570
Alkyl halide
4,988
Alkene
4,969
Phenol
4,107
Ketone
3,626
Tertiary amine
3,199
Secondary amine
2,895
Show all 52
Amide
2,630
Nitro
2,387
Nitrile
1,808
Carbamate
1,659
Acetal
1,502
Aldehyde
1,459
Sulfide
1,238
Lactam
1,123
Sulfonic acid
832
Boronic acid
678
Sulfonamide
569
Thiol
556
Lactone
528
Alkyne
443
Phosphate
437
Acyl halide
426
Quaternary ammonium
365
Guanidine
336
Sulfone
326
Epoxide
299
Boronic ester
289
Silyl ether
266
Oxime
251
Imine
237
Phosphine
236
Vinyl halide
231
Azo
227
Hydrazone
215
Isothiocyanate
193
Amidine
191
Acid anhydride
185
Phosphonate
176
Isocyanate
165
Disulfide
160
Sulfonate ester
141
Carbonate
137
Urea
136
Sulfoxide
64
Peroxide
62
Azide
55
H
2
O
H
2
O
H
2
O
F
Fe
F
F
Iron(III) fluoride trihydrate
15469-38-2
100 % similar
H
2
O
Water
7732-18-5
33 % similar