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DocumentationIdentifier: MM429886
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM429886 |
| SMILES |
C=CC1(OCC=CC)CC1
|
| InChIKey |
DSVTUOARQBEBST-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM203176
Similarity: 0.8917
Similarity to MM203176
| Tanimoto metric | 0.8917 |
|---|---|
| Cosine metric | 0.9443 |
| Dice metric | 0.9427 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341582
Similarity: 0.8168
Similarity to MM341582
| Tanimoto metric | 0.8168 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8992 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429891
Similarity: 0.7754
Similarity to MM429891
| Tanimoto metric | 0.7754 |
|---|---|
| Cosine metric | 0.8737 |
| Dice metric | 0.8735 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+174 more
