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DocumentationIdentifier: MM211165
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM211165 |
| SMILES |
C#CC(C)N1CC1C#C
|
| InChIKey |
HWCIVXKZAHOYRZ-UHFFFAOYSA-N
|
| MW [Da] |
119.17
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM428687
Similarity: 0.9256
Similarity to MM428687
| Tanimoto metric | 0.9256 |
|---|---|
| Cosine metric | 0.9621 |
| Dice metric | 0.9614 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125160
Similarity: 0.8393
Similarity to MM125160
| Tanimoto metric | 0.8393 |
|---|---|
| Cosine metric | 0.9161 |
| Dice metric | 0.9126 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124445
Similarity: 0.8214
Similarity to MM124445
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+254 more
