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DocumentationIdentifier: MM41492
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41492 |
| SMILES |
CC(C)(CO)C(O)C#N
|
| InChIKey |
YRISILVEKHMLPL-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.11
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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MM111542
Similarity: 0.7531
Similarity to MM111542
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8592 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM58733
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| Tanimoto metric | 0.7364 |
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| Cosine metric | 0.8581 |
| Dice metric | 0.8482 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM102569
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| Tanimoto metric | 0.6543 |
|---|---|
| Cosine metric | 0.8089 |
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| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+240 more
