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DocumentationIdentifier: MM297033
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297033 |
| SMILES |
CCC(C)(O)CC=CCO
|
| InChIKey |
XFJRIQMZZXMWHZ-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM437799
Similarity: 0.8539
Similarity to MM437799
| Tanimoto metric | 0.8539 |
|---|---|
| Cosine metric | 0.9241 |
| Dice metric | 0.9212 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM437975
Similarity: 0.8211
Similarity to MM437975
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.9017 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452896
Similarity: 0.8
Similarity to MM452896
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8889 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+588 more
