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DocumentationIdentifier: MM432199
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM432199 |
| SMILES |
CCC(C#CCC=O)C=O
|
| InChIKey |
UUUNDYKPMOJWRO-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201229
Similarity: 0.9167
Similarity to MM201229
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM344719
Similarity: 0.8947
Similarity to MM344719
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9444 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM431930
Similarity: 0.8947
Similarity to MM431930
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9444 |
| Dice metric | 0.9444 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+494 more
