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DocumentationIdentifier: MM447975
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447975 |
| SMILES |
C#CC#CCN1CC1C#C
|
| InChIKey |
FIYRNJQNODZCOM-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217039
Similarity: 0.9244
Similarity to MM217039
| Tanimoto metric | 0.9244 |
|---|---|
| Cosine metric | 0.9614 |
| Dice metric | 0.9607 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447945
Similarity: 0.8661
Similarity to MM447945
| Tanimoto metric | 0.8661 |
|---|---|
| Cosine metric | 0.9283 |
| Dice metric | 0.9283 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447947
Similarity: 0.8661
Similarity to MM447947
| Tanimoto metric | 0.8661 |
|---|---|
| Cosine metric | 0.9283 |
| Dice metric | 0.9283 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+179 more
