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DocumentationIdentifier: MM458770
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM458770 |
| SMILES |
CCNCC#CC#CCN
|
| InChIKey |
TUIMJKDZBRPWHM-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM216074
Similarity: 0.9574
Similarity to MM216074
| Tanimoto metric | 0.9574 |
|---|---|
| Cosine metric | 0.9785 |
| Dice metric | 0.9783 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458836
Similarity: 0.8491
Similarity to MM458836
| Tanimoto metric | 0.8491 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9184 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126416
Similarity: 0.8298
Similarity to MM126416
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.907 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+419 more
