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DocumentationIdentifier: MM370080
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370080 |
| SMILES |
CC(O)CCC(C)(C)C=O
|
| InChIKey |
DJZRSXSWFOPIHJ-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
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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MM138332
Similarity: 0.7407
Similarity to MM138332
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8511 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM384784
Similarity: 0.7174
Similarity to MM384784
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.8357 |
| Dice metric | 0.8354 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM312986
Similarity: 0.7126
Similarity to MM312986
| Tanimoto metric | 0.7126 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8322 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
