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DocumentationIdentifier: MM83803
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83803 |
| SMILES |
C#CCOC(=O)C=CCO
|
| InChIKey |
CHVGQVPBFATDMV-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
MM157361
Similarity: 0.8804
Similarity to MM157361
| Tanimoto metric | 0.8804 |
|---|---|
| Cosine metric | 0.9383 |
| Dice metric | 0.9364 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279476
Similarity: 0.7642
Similarity to MM279476
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8664 |
| Dice metric | 0.8663 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71988
Similarity: 0.7364
Similarity to MM71988
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8482 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
