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DocumentationIdentifier: MM215873
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215873 |
| SMILES |
C#CC#CC=COC=O
|
| InChIKey |
TZIXVMRHPFYKQP-UHFFFAOYSA-N
|
| MW [Da] |
120.11
Automatically obtained from RDkit software. |
| LogP |
0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM455571
Similarity: 0.9077
Similarity to MM455571
| Tanimoto metric | 0.9077 |
|---|---|
| Cosine metric | 0.9527 |
| Dice metric | 0.9516 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126786
Similarity: 0.8475
Similarity to MM126786
| Tanimoto metric | 0.8475 |
|---|---|
| Cosine metric | 0.9206 |
| Dice metric | 0.9174 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215849
Similarity: 0.7813
Similarity to MM215849
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8772 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
