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DocumentationIdentifier: MM357634
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357634 |
| SMILES |
CCCOC(=O)C=CCN
|
| InChIKey |
MTJMLIYUUDPALP-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157956
Similarity: 0.8144
Similarity to MM157956
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157279
Similarity: 0.8144
Similarity to MM157279
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279292
Similarity: 0.7387
Similarity to MM279292
| Tanimoto metric | 0.7387 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8497 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
