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DocumentationIdentifier: MM426595
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM426595 |
| SMILES |
C#CC(C#C)N1CC1CC
|
| InChIKey |
WXQHVZWRZUSAJO-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210778
Similarity: 0.9323
Similarity to MM210778
| Tanimoto metric | 0.9323 |
|---|---|
| Cosine metric | 0.9656 |
| Dice metric | 0.965 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435816
Similarity: 0.8105
Similarity to MM435816
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8953 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435638
Similarity: 0.775
Similarity to MM435638
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8732 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
