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DocumentationIdentifier: MM83996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83996 |
| SMILES |
C=CCOC(=O)C#CCO
|
| InChIKey |
YZZNSHUTLIEWGX-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157574
Similarity: 0.871
Similarity to MM157574
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358927
Similarity: 0.7642
Similarity to MM358927
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8663 |
| Dice metric | 0.8663 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358967
Similarity: 0.757
Similarity to MM358967
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8618 |
| Dice metric | 0.8617 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
