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DocumentationIdentifier: MM447937
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447937 |
| SMILES |
C#CC1NC1CC#CCC
|
| InChIKey |
RMULMVKWAWDWMA-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217037
Similarity: 0.9583
Similarity to MM217037
| Tanimoto metric | 0.9583 |
|---|---|
| Cosine metric | 0.9789 |
| Dice metric | 0.9787 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447939
Similarity: 0.9
Similarity to MM447939
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9477 |
| Dice metric | 0.9474 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM442401
Similarity: 0.8731
Similarity to MM442401
| Tanimoto metric | 0.8731 |
|---|---|
| Cosine metric | 0.9332 |
| Dice metric | 0.9323 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+285 more
