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DocumentationIdentifier: MM103076
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103076 |
| SMILES |
CC(C)(C#N)CC=O
|
| InChIKey |
LZDOLLMSOPKBIE-UHFFFAOYSA-N
|
| MW [Da] |
111.14
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 |
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MM15718
Similarity: 0.8
Similarity to MM15718
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26265
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| Tanimoto metric | 0.75 |
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| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 97.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM313054
Similarity: 0.75
Similarity to MM313054
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
