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DocumentationIdentifier: MM387197
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387197 |
| SMILES |
N#CC(CC=O)OCCO
|
| InChIKey |
SGHJNQSCELDATN-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177997
Similarity: 0.8416
Similarity to MM177997
| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87846
Similarity: 0.7658
Similarity to MM87846
| Tanimoto metric | 0.7658 |
|---|---|
| Cosine metric | 0.8678 |
| Dice metric | 0.8673 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15838
Similarity: 0.6911
Similarity to MM15838
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8173 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
