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DocumentationIdentifier: MM60040
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60040 |
| SMILES |
CC(=O)CC(=O)C=CCO
|
| InChIKey |
OBGAOUOTGVFQIQ-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM264546
Similarity: 0.7426
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| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8523 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357574
Similarity: 0.7075
Similarity to MM357574
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8287 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM357734
Similarity: 0.7075
Similarity to MM357734
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8287 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+163 more
