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DocumentationIdentifier: MM378938
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378938 |
| SMILES |
C#CC(OC=O)C(=C)CN
|
| InChIKey |
LKGDLTDMQZNIOO-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM70359
Similarity: 0.6928
Similarity to MM70359
| Tanimoto metric | 0.6928 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8185 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94934
Similarity: 0.5979
Similarity to MM94934
| Tanimoto metric | 0.5979 |
|---|---|
| Cosine metric | 0.7484 |
| Dice metric | 0.7483 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378940
Similarity: 0.5907
Similarity to MM378940
| Tanimoto metric | 0.5907 |
|---|---|
| Cosine metric | 0.7427 |
| Dice metric | 0.7427 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+35 more
