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DocumentationIdentifier: MM133746
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133746 |
| SMILES |
C=C(C)C(C)OC(C)=O
|
| InChIKey |
DCCHMIMNGZITSV-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM245699
Similarity: 0.7622
Similarity to MM245699
| Tanimoto metric | 0.7622 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8651 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269040
Similarity: 0.7466
Similarity to MM269040
| Tanimoto metric | 0.7466 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8549 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150051
Similarity: 0.7373
Similarity to MM150051
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8488 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
