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DocumentationIdentifier: MM89539
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89539 |
| SMILES |
C#CC(C#CC=O)NC=O
|
| InChIKey |
LMUXPCWWOLJPLO-UHFFFAOYSA-N
|
| MW [Da] |
135.12
Automatically obtained from RDkit software. |
| LogP |
-1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158421
Similarity: 0.8191
Similarity to MM158421
| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9006 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178406
Similarity: 0.766
Similarity to MM178406
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380241
Similarity: 0.6636
Similarity to MM380241
| Tanimoto metric | 0.6636 |
|---|---|
| Cosine metric | 0.7981 |
| Dice metric | 0.7978 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+42 more
