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DocumentationIdentifier: MM59762
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59762 |
| SMILES |
C=C(C)CC(=O)CCCO
|
| InChIKey |
FLENFRJDHHRXKZ-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
MM65003
Similarity: 0.8515
Similarity to MM65003
| Tanimoto metric | 0.8515 |
|---|---|
| Cosine metric | 0.9214 |
| Dice metric | 0.9198 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45974
Similarity: 0.7614
Similarity to MM45974
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8645 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65051
Similarity: 0.757
Similarity to MM65051
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8635 |
| Dice metric | 0.8617 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+478 more
