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DocumentationIdentifier: MM297322
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297322 |
| SMILES |
CC#CC(C)=C(C)NC=O
|
| InChIKey |
JMBCCKYRBVJCST-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51182
Similarity: 0.7953
Similarity to MM51182
| Tanimoto metric | 0.7953 |
|---|---|
| Cosine metric | 0.8918 |
| Dice metric | 0.886 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292499
Similarity: 0.6544
Similarity to MM292499
| Tanimoto metric | 0.6544 |
|---|---|
| Cosine metric | 0.7978 |
| Dice metric | 0.7911 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM423803
Similarity: 0.6182
Similarity to MM423803
| Tanimoto metric | 0.6182 |
|---|---|
| Cosine metric | 0.765 |
| Dice metric | 0.764 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
