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DocumentationIdentifier: MM302530
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302530 |
| SMILES |
C#CCCNC(=N)C(C)O
|
| InChIKey |
GFTBMWXVTNXBEI-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM302096
Similarity: 0.7623
Similarity to MM302096
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8652 |
| Dice metric | 0.8651 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302094
Similarity: 0.7541
Similarity to MM302094
| Tanimoto metric | 0.7541 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8598 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254921
Similarity: 0.748
Similarity to MM254921
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8558 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+557 more
