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DocumentationIdentifier: MM414839
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM414839 |
| SMILES |
CC=C(CC)C(C)OC=O
|
| InChIKey |
LNDPCGDZUUIWCW-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174822
Similarity: 0.7537
Similarity to MM174822
| Tanimoto metric | 0.7537 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8596 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172570
Similarity: 0.7313
Similarity to MM172570
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.8552 |
| Dice metric | 0.8448 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296150
Similarity: 0.6313
Similarity to MM296150
| Tanimoto metric | 0.6313 |
|---|---|
| Cosine metric | 0.7742 |
| Dice metric | 0.7739 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
