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DocumentationIdentifier: MM77200
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77200 |
| SMILES |
C=CC(O)(CC)CCC=O
|
| InChIKey |
PSPIPNRHOHISOC-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41886
Similarity: 0.7909
Similarity to MM41886
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8893 |
| Dice metric | 0.8832 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59333
Similarity: 0.7664
Similarity to MM59333
| Tanimoto metric | 0.7664 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8678 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM428813
Similarity: 0.7455
Similarity to MM428813
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8634 |
| Dice metric | 0.8542 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
