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DocumentationIdentifier: MM409497
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409497 |
| SMILES |
C=CC(C=C)=CC1CN1C
|
| InChIKey |
HRRWMUJQKDIHKB-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM185079
Similarity: 0.9353
Similarity to MM185079
| Tanimoto metric | 0.9353 |
|---|---|
| Cosine metric | 0.9671 |
| Dice metric | 0.9665 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309861
Similarity: 0.8228
Similarity to MM309861
| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9033 |
| Dice metric | 0.9028 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM409103
Similarity: 0.7602
Similarity to MM409103
| Tanimoto metric | 0.7602 |
|---|---|
| Cosine metric | 0.8663 |
| Dice metric | 0.8638 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
