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DocumentationIdentifier: MM177907
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177907 |
| SMILES |
C#CCC(CO)CC=O
|
| InChIKey |
YCXJQSMXAARVAV-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376329
Similarity: 0.7553
Similarity to MM376329
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8606 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM115949
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| Tanimoto metric | 0.6761 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8067 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM368727
Similarity: 0.662
Similarity to MM368727
| Tanimoto metric | 0.662 |
|---|---|
| Cosine metric | 0.8136 |
| Dice metric | 0.7966 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+419 more
