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DocumentationIdentifier: MM376471
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376471 |
| SMILES |
COCC(C#N)C(O)CO
|
| InChIKey |
WFMUAGRHPGMRPJ-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406728
Similarity: 0.7752
Similarity to MM406728
| Tanimoto metric | 0.7752 |
|---|---|
| Cosine metric | 0.8734 |
| Dice metric | 0.8734 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52173
Similarity: 0.7586
Similarity to MM52173
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400564
Similarity: 0.7445
Similarity to MM400564
| Tanimoto metric | 0.7445 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8536 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+279 more
