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DocumentationIdentifier: MM419355
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM419355 |
| SMILES |
C#CCNCCC1CN1C
|
| InChIKey |
HJEMYFUTPIJQEO-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
-0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM195362
Similarity: 0.8585
Similarity to MM195362
| Tanimoto metric | 0.8585 |
|---|---|
| Cosine metric | 0.9265 |
| Dice metric | 0.9239 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419103
Similarity: 0.8426
Similarity to MM419103
| Tanimoto metric | 0.8426 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.9146 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419108
Similarity: 0.8125
Similarity to MM419108
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8974 |
| Dice metric | 0.8966 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
