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DocumentationIdentifier: MM457821
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM457821 |
| SMILES |
C=CC#CC=COCC=O
|
| InChIKey |
BCKNPDPNUVYNDK-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215256
Similarity: 0.9219
Similarity to MM215256
| Tanimoto metric | 0.9219 |
|---|---|
| Cosine metric | 0.9601 |
| Dice metric | 0.9593 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215829
Similarity: 0.8125
Similarity to MM215829
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457870
Similarity: 0.8082
Similarity to MM457870
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8939 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
