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DocumentationIdentifier: MM279291
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279291 |
| SMILES |
CC=CC(=O)OCCCC
|
| InChIKey |
GWCTUKHUBWMAMI-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157279
Similarity: 0.8681
Similarity to MM157279
| Tanimoto metric | 0.8681 |
|---|---|
| Cosine metric | 0.9317 |
| Dice metric | 0.9294 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166895
Similarity: 0.8242
Similarity to MM166895
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279350
Similarity: 0.7864
Similarity to MM279350
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8804 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+607 more
