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DocumentationIdentifier: MM379018
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379018 |
| SMILES |
C#CC(=C)C(C#C)OC=C
|
| InChIKey |
RVVBDRPZZSJBEW-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197457
Similarity: 0.773
Similarity to MM197457
| Tanimoto metric | 0.773 |
|---|---|
| Cosine metric | 0.8792 |
| Dice metric | 0.872 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413813
Similarity: 0.6627
Similarity to MM413813
| Tanimoto metric | 0.6627 |
|---|---|
| Cosine metric | 0.7972 |
| Dice metric | 0.7972 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94933
Similarity: 0.625
Similarity to MM94933
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7693 |
| Dice metric | 0.7692 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
