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DocumentationIdentifier: MM415936
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM415936 |
| SMILES |
C#CC(=CC)C(C)OC=O
|
| InChIKey |
CWDPZWLXDGEDKV-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172859
Similarity: 0.7329
Similarity to MM172859
| Tanimoto metric | 0.7329 |
|---|---|
| Cosine metric | 0.8561 |
| Dice metric | 0.8458 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174822
Similarity: 0.6918
Similarity to MM174822
| Tanimoto metric | 0.6918 |
|---|---|
| Cosine metric | 0.8317 |
| Dice metric | 0.8178 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295348
Similarity: 0.6149
Similarity to MM295348
| Tanimoto metric | 0.6149 |
|---|---|
| Cosine metric | 0.7622 |
| Dice metric | 0.7616 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
