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DocumentationIdentifier: MM242304
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242304 |
| SMILES |
C#CCC(=O)C(C)(C)OC
|
| InChIKey |
JLAYMZGXXVMNJB-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173219
Similarity: 0.7194
Similarity to MM173219
| Tanimoto metric | 0.7194 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8368 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40318
Similarity: 0.705
Similarity to MM40318
| Tanimoto metric | 0.705 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.827 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61062
Similarity: 0.642
Similarity to MM61062
| Tanimoto metric | 0.642 |
|---|---|
| Cosine metric | 0.7828 |
| Dice metric | 0.782 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+189 more
