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DocumentationIdentifier: MM437225
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM437225 |
| SMILES |
C=CCOC=C(CC)CO
|
| InChIKey |
ZPVYPGHTOFQIHW-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201576
Similarity: 0.8652
Similarity to MM201576
| Tanimoto metric | 0.8652 |
|---|---|
| Cosine metric | 0.9301 |
| Dice metric | 0.9277 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM436271
Similarity: 0.7778
Similarity to MM436271
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.875 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294925
Similarity: 0.757
Similarity to MM294925
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8617 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+503 more
