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DocumentationIdentifier: MM298074
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298074 |
| SMILES |
C=C(C(C)C)C(O)CCN
|
| InChIKey |
ISWQOQRGJWZKFW-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 |
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MM74543
Similarity: 0.7652
Similarity to MM74543
| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.867 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM401500
Similarity: 0.7565
Similarity to MM401500
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8614 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292779
Similarity: 0.6718
Similarity to MM292779
| Tanimoto metric | 0.6718 |
|---|---|
| Cosine metric | 0.8047 |
| Dice metric | 0.8037 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
