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DocumentationIdentifier: MM216121
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216121 |
| SMILES |
CC#CC#CCC=CC
|
| InChIKey |
AYWQGHIGSPEWAX-UHFFFAOYSA-N
|
| MW [Da] |
118.18
Automatically obtained from RDkit software. |
| LogP |
1.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM458971
Similarity: 0.96
Similarity to MM458971
| Tanimoto metric | 0.96 |
|---|---|
| Cosine metric | 0.9798 |
| Dice metric | 0.9796 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454647
Similarity: 0.8889
Similarity to MM454647
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM459000
Similarity: 0.8889
Similarity to MM459000
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+912 more
