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DocumentationIdentifier: MM434869
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM434869 |
| SMILES |
CCCC1CN1C(C)C#N
|
| InChIKey |
PIUCMVCNRCSGJL-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
MM210730
Similarity: 0.8601
Similarity to MM210730
| Tanimoto metric | 0.8601 |
|---|---|
| Cosine metric | 0.9274 |
| Dice metric | 0.9248 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425579
Similarity: 0.8113
Similarity to MM425579
| 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
|
MM426312
Similarity: 0.8039
Similarity to MM426312
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8913 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+250 more
