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DocumentationIdentifier: MM302069
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302069 |
| SMILES |
C=C(COCCC)C(C)N
|
| InChIKey |
NAHOZDIOEMUDQU-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.32
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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MM162400
Similarity: 0.93
Similarity to MM162400
| Tanimoto metric | 0.93 |
|---|---|
| Cosine metric | 0.9644 |
| Dice metric | 0.9637 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM302385
Similarity: 0.8879
Similarity to MM302385
| Tanimoto metric | 0.8879 |
|---|---|
| Cosine metric | 0.9406 |
| Dice metric | 0.9406 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM254915
Similarity: 0.8087
Similarity to MM254915
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8949 |
| Dice metric | 0.8942 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+445 more
