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DocumentationIdentifier: MM135355
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135355 |
| SMILES |
COCC(=O)CC(C)C
|
| InChIKey |
GWPZOSJFNMQZFQ-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107311
Similarity: 0.7945
Similarity to MM107311
| Tanimoto metric | 0.7945 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8855 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM32996
Similarity: 0.726
Similarity to MM32996
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8413 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156099
Similarity: 0.7108
Similarity to MM156099
| Tanimoto metric | 0.7108 |
|---|---|
| Cosine metric | 0.8313 |
| Dice metric | 0.831 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
