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DocumentationIdentifier: MM441598
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM441598 |
| SMILES |
C#CCN1CC1C=CC#N
|
| InChIKey |
DAKTVVSWLKKUDC-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194920
Similarity: 0.8344
Similarity to MM194920
| Tanimoto metric | 0.8344 |
|---|---|
| Cosine metric | 0.9135 |
| Dice metric | 0.9097 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM217108
Similarity: 0.8089
Similarity to MM217108
| Tanimoto metric | 0.8089 |
|---|---|
| Cosine metric | 0.8994 |
| Dice metric | 0.8944 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441495
Similarity: 0.7427
Similarity to MM441495
| Tanimoto metric | 0.7427 |
|---|---|
| Cosine metric | 0.8536 |
| Dice metric | 0.8523 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
