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DocumentationIdentifier: MM172263
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172263 |
| SMILES |
C#CC(N)C(O)COC
|
| InChIKey |
GOWXKRBDFGSJSL-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37095
Similarity: 0.8468
Similarity to MM37095
| Tanimoto metric | 0.8468 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.917 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376386
Similarity: 0.7394
Similarity to MM376386
| Tanimoto metric | 0.7394 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8502 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47864
Similarity: 0.6774
Similarity to MM47864
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8231 |
| Dice metric | 0.8077 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+390 more
