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DocumentationIdentifier: MM351596
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351596 |
| SMILES |
C#CC(N)C(=C)COC=O
|
| InChIKey |
CVEQPMOSDXTXBE-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173531
Similarity: 0.8162
Similarity to MM173531
| Tanimoto metric | 0.8162 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8988 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76199
Similarity: 0.7279
Similarity to MM76199
| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8426 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156662
Similarity: 0.6103
Similarity to MM156662
| Tanimoto metric | 0.6103 |
|---|---|
| Cosine metric | 0.7812 |
| Dice metric | 0.758 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
