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DocumentationIdentifier: MM427410
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM427410 |
| SMILES |
C=CC(CN)N1CC1C=C
|
| InChIKey |
UISPQWNRKJABPI-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM210917
Similarity: 0.8387
Similarity to MM210917
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425604
Similarity: 0.7784
Similarity to MM425604
| Tanimoto metric | 0.7784 |
|---|---|
| Cosine metric | 0.8754 |
| Dice metric | 0.8754 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM444807
Similarity: 0.7443
Similarity to MM444807
| Tanimoto metric | 0.7443 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.8534 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+185 more
