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DocumentationIdentifier: MM358537
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358537 |
| SMILES |
C#CC#CC(N)CNC=N
|
| InChIKey |
YMZIMLASXKKDAT-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
-0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157511
Similarity: 0.8495
Similarity to MM157511
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9217 |
| Dice metric | 0.9186 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358398
Similarity: 0.7822
Similarity to MM358398
| Tanimoto metric | 0.7822 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.8778 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358400
Similarity: 0.767
Similarity to MM358400
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8683 |
| Dice metric | 0.8681 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
