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DocumentationIdentifier: MM376329
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376329 |
| SMILES |
C#CCC(CO)C(C)C=O
|
| InChIKey |
JSCMPDIJKJJJBO-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406912
Similarity: 0.7685
Similarity to MM406912
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8691 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177907
Similarity: 0.7553
Similarity to MM177907
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8606 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196857
Similarity: 0.7234
Similarity to MM196857
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+430 more
