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DocumentationIdentifier: MM158540
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158540 |
| SMILES |
C#CC#CC(=C)COC
|
| InChIKey |
SCVWDOAERHOKTE-UHFFFAOYSA-N
|
| MW [Da] |
120.15
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM283105
Similarity: 0.8864
Similarity to MM283105
| Tanimoto metric | 0.8864 |
|---|---|
| Cosine metric | 0.9415 |
| Dice metric | 0.9398 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358759
Similarity: 0.8478
Similarity to MM358759
| Tanimoto metric | 0.8478 |
|---|---|
| Cosine metric | 0.9208 |
| Dice metric | 0.9176 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358949
Similarity: 0.8211
Similarity to MM358949
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9017 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+561 more
