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DocumentationIdentifier: MM78703
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78703 |
| SMILES |
C#CC(=O)NCC(O)C#C
|
| InChIKey |
SZJRKDVKAFPWSA-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144785
Similarity: 0.8103
Similarity to MM144785
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.9002 |
| Dice metric | 0.8952 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317299
Similarity: 0.6963
Similarity to MM317299
| Tanimoto metric | 0.6963 |
|---|---|
| Cosine metric | 0.821 |
| Dice metric | 0.821 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224987
Similarity: 0.6884
Similarity to MM224987
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8155 |
| Dice metric | 0.8155 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+192 more
