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DocumentationIdentifier: MM84487
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84487 |
| SMILES |
C=CC(O)CC(C)C(C)N
|
| InChIKey |
OMKHXPILVLTJJY-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM326126
Similarity: 0.7874
Similarity to MM326126
| Tanimoto metric | 0.7874 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8811 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133457
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| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8476 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM79803
Similarity: 0.6694
Similarity to MM79803
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.802 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+326 more
