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DocumentationIdentifier: MM415550
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM415550 |
| SMILES |
C#CCCNC(C#C)=NC
|
| InChIKey |
TXTGZJYFUWKZDK-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78882
Similarity: 0.7876
Similarity to MM78882
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8812 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342220
Similarity: 0.7607
Similarity to MM342220
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8641 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167917
Similarity: 0.7426
Similarity to MM167917
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8617 |
| Dice metric | 0.8523 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+386 more
