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DocumentationIdentifier: MM357891
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357891 |
| SMILES |
C#CCOC(=O)C=CNC
|
| InChIKey |
UVAKUOPMTDHDEZ-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157362
Similarity: 0.8218
Similarity to MM157362
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9022 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83767
Similarity: 0.6891
Similarity to MM83767
| Tanimoto metric | 0.6891 |
|---|---|
| Cosine metric | 0.8159 |
| Dice metric | 0.8159 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37042
Similarity: 0.6535
Similarity to MM37042
| Tanimoto metric | 0.6535 |
|---|---|
| Cosine metric | 0.8084 |
| Dice metric | 0.7904 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
