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DocumentationIdentifier: MM387389
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387389 |
| SMILES |
C=CCOC(C=C)CC=O
|
| InChIKey |
BQHCVXDWBLMCJM-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8537 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403527
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| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8508 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM199002
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Similarity to MM199002
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
