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DocumentationIdentifier: MM257756
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM257756 |
| SMILES |
C=C(C)CNCC(O)CO
|
| InChIKey |
RYKLCSFVFPQJCE-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.49
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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MM63378
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Similarity to MM63378
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8903 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM165769
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| Cosine metric | 0.8957 |
| Dice metric | 0.8903 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM61419
Similarity: 0.6893
Similarity to MM61419
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.8161 |
| Dice metric | 0.8161 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+593 more
