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DocumentationIdentifier: MM293661
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293661 |
| SMILES |
C#CCC(=C)C(C)OC=O
|
| InChIKey |
AWCNQTGBRXDSPE-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
MM172570
Similarity: 0.7538
Similarity to MM172570
| Tanimoto metric | 0.7538 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8596 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156662
Similarity: 0.6385
Similarity to MM156662
| Tanimoto metric | 0.6385 |
|---|---|
| Cosine metric | 0.799 |
| Dice metric | 0.7793 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84837
Similarity: 0.6203
Similarity to MM84837
| Tanimoto metric | 0.6203 |
|---|---|
| Cosine metric | 0.7657 |
| Dice metric | 0.7656 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+25 more
