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DocumentationIdentifier: MM350238
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350238 |
| SMILES |
CCCOC(=O)C(C)CC
|
| InChIKey |
TZFQMSDUSOTCJC-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM172994
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Similarity to MM172994
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM407925
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Similarity to MM407925
| Tanimoto metric | 0.8224 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.9026 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242200
Similarity: 0.7521
Similarity to MM242200
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8603 |
| Dice metric | 0.8585 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+670 more
