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DocumentationIdentifier: MM262046
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262046 |
| SMILES |
COC(=O)CC(O)CC#N
|
| InChIKey |
SSIBSMAGWANLAQ-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM416973
Similarity: 0.7333
Similarity to MM416973
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262155
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Similarity to MM262155
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7848 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM328610
Similarity: 0.6434
Similarity to MM328610
| Tanimoto metric | 0.6434 |
|---|---|
| Cosine metric | 0.7832 |
| Dice metric | 0.783 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+365 more
