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DocumentationIdentifier: MM104321
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104321 |
| SMILES |
CC(=O)OC(C)CO
|
| InChIKey |
YJNKLTDJZSXVHQ-UHFFFAOYSA-N
|
| MW [Da] |
118.13
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149961
Similarity: 0.8611
Similarity to MM149961
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142161
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| Tanimoto metric | 0.7126 |
|---|---|
| Cosine metric | 0.8442 |
| Dice metric | 0.8322 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM328781
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Similarity to MM328781
| Tanimoto metric | 0.7045 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.8267 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
