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DocumentationIdentifier: MM306674
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306674 |
| SMILES |
CC(C)C(CC=O)C(C)O
|
| InChIKey |
RTJKBSDSDPXVGD-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387977
Similarity: 0.8586
Similarity to MM387977
| Tanimoto metric | 0.8586 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9239 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47255
Similarity: 0.7273
Similarity to MM47255
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8421 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132031
Similarity: 0.6733
Similarity to MM132031
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8059 |
| Dice metric | 0.8047 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+409 more
