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DocumentationIdentifier: MM84020
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84020 |
| SMILES |
N#CC#CC(=O)OCC#N
|
| InChIKey |
KUHBEEGVXRWWCY-UHFFFAOYSA-N
|
| MW [Da] |
134.09
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158532
Similarity: 0.8632
Similarity to MM158532
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9266 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46542
Similarity: 0.8526
Similarity to MM46542
| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.9234 |
| Dice metric | 0.9205 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84041
Similarity: 0.8058
Similarity to MM84041
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.8925 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
