Identifier: MM25216
2D Structure
3D Structure
Source:
General | |
Identifier | MM25216 |
SMILES |
CC=CCC=O
|
InChIKey |
WUCQRXWCJPCWTQ-UHFFFAOYSA-N
|
MW [Da] |
84.12
Automatically obtained from RDkit software. |
LogP |
1.15
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM28065
Similarity: 0.8571
Similarity to MM28065
Tanimoto metric | 0.8571 |
---|---|
Cosine metric | 0.9258 |
Dice metric | 0.9231 |
MW: | 98.15 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.54 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM100925
Similarity: 0.8276
Similarity to MM100925
Tanimoto metric | 0.8276 |
---|---|
Cosine metric | 0.9097 |
Dice metric | 0.9057 |
MW: | 98.1 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.33 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM126682
Similarity: 0.8
Similarity to MM126682
Tanimoto metric | 0.8 |
---|---|
Cosine metric | 0.8944 |
Dice metric | 0.8889 |
MW: | 112.13 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 0.72 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+276 more