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DocumentationIdentifier: MM425579
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM425579 |
| SMILES |
CCC(C#N)N1CC1CC
|
| InChIKey |
MLTUELLZBGPYLX-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM195108
Similarity: 0.8552
Similarity to MM195108
| Tanimoto metric | 0.8552 |
|---|---|
| Cosine metric | 0.9248 |
| Dice metric | 0.9219 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM210730
Similarity: 0.8483
Similarity to MM210730
| Tanimoto metric | 0.8483 |
|---|---|
| Cosine metric | 0.921 |
| Dice metric | 0.9179 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434869
Similarity: 0.8113
Similarity to MM434869
| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.8959 |
| Dice metric | 0.8958 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
