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DocumentationIdentifier: MM90215
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90215 |
| SMILES |
N#CC(=CC=O)OCC=O
|
| InChIKey |
NFTGZHHNSKJQQQ-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179175
Similarity: 0.8476
Similarity to MM179175
| Tanimoto metric | 0.8476 |
|---|---|
| Cosine metric | 0.9207 |
| Dice metric | 0.9175 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90218
Similarity: 0.7607
Similarity to MM90218
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8641 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382434
Similarity: 0.7236
Similarity to MM382434
| Tanimoto metric | 0.7236 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8396 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+64 more
